Product Name

  • Name

    Trichloroacetonitrile

  • EINECS 208-885-7
  • CAS No. 545-06-2
  • Article Data33
  • CAS DataBase
  • Density 1.619 g/cm3
  • Solubility <0.1 g/100 mL at 21.5 °C in water
  • Melting Point -42 °C
  • Formula C2Cl3N
  • Boiling Point 85.7 °C at 760 mmHg
  • Molecular Weight 144.388
  • Flash Point 10.5 °C
  • Transport Information UN 3276 6.1/PG 3
  • Appearance colorless to pale yellow liquid
  • Safety 45-61
  • Risk Codes 23/24/25-51/53
  • Molecular Structure Molecular Structure of 545-06-2 (Trichloroacetonitrile)
  • Hazard Symbols ToxicT, DangerousN
  • Synonyms Acetonitrile,trichloro- (8CI,9CI);2,2,2-Trichloroacetonitrile;Cyanotrichloromethane;NSC66405;Trichlorocyanomethane;Trichloromethyl cyanide;Tritox;
  • PSA 23.79000
  • LogP 1.88018

Synthetic route

N-{2-[2,2,2-Trichloro-eth-(E)-ylidene-hydrazinocarbonyl]-phenyl}-benzamide
76716-10-4

N-{2-[2,2,2-Trichloro-eth-(E)-ylidene-hydrazinocarbonyl]-phenyl}-benzamide

A

2-phenyl-4(3H)-quinazolinone
1022-45-3

2-phenyl-4(3H)-quinazolinone

B

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
at 200 - 240℃; under 1 Torr;A n/a
B 64%
trichloroacetamide
594-65-0

trichloroacetamide

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
With trichlorophosphate
With phosphorus pentaoxide
With phosphorus pentaoxide
trichloroacetyl-triphenoxyphosphoranyliden-amine
94578-40-2

trichloroacetyl-triphenoxyphosphoranyliden-amine

A

phosphoric acid triphenyl ester
115-86-6

phosphoric acid triphenyl ester

B

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
at 300℃;
2,2,2-trichloro-acetimidic acid phenyl ester
409110-43-6

2,2,2-trichloro-acetimidic acid phenyl ester

A

trichloroacetonitrile
545-06-2

trichloroacetonitrile

B

phenol
108-95-2

phenol

Conditions
ConditionsYield
at 180℃;
(2,2,2-trichloro-1-phenoxy-ethyliden)-amidophosphoric acid diphenyl ester
111499-29-7

(2,2,2-trichloro-1-phenoxy-ethyliden)-amidophosphoric acid diphenyl ester

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
at 250 - 300℃;
chloroacetonitrile
107-14-2

chloroacetonitrile

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
With chlorine at 60℃;
With hydrogenchloride; chlorine
acetonitrile
75-05-8

acetonitrile

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
With sulfuryl dichloride; platinum at 200 - 500℃;
With chlorine; platinum at 200 - 500℃;
With hydrogenchloride; chlorine
<2,2,2-trichloro-1-<(pentachloroethyl)imino>ethyl>phosphorimidic trichloride
74067-78-0

<2,2,2-trichloro-1-<(pentachloroethyl)imino>ethyl>phosphorimidic trichloride

A

trichloroacetamide
594-65-0

trichloroacetamide

B

trichloroacetonitrile
545-06-2

trichloroacetonitrile

C

trichloroacetic acid
76-03-9

trichloroacetic acid

Conditions
ConditionsYield
With water for 0.25h; Heating;
...Expand
acetonitrile
75-05-8

acetonitrile

A

chloroacetonitrile
107-14-2

chloroacetonitrile

B

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
With chlorine; iron(III) chloride at 24.9℃; for 168h; Product distribution; also in the presence of 2, various conc.;
acetonitrile
75-05-8

acetonitrile

A

dichloroacetonitrile
3018-12-0

dichloroacetonitrile

B

chloroacetonitrile
107-14-2

chloroacetonitrile

C

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
With chlorine at 22.9℃; under 700 Torr; Irradiation; Yield given. Title compound not separated from byproducts;
With chlorine at 22.9℃; under 700 Torr; Kinetics; Irradiation; different reaction temperature and pressure;
...Expand
chlorine
7782-50-5

chlorine

acetonitrile
75-05-8

acetonitrile

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
at 60℃; Irradiation;
acetonitrile
75-05-8

acetonitrile

A

trichloroacetonitrile
545-06-2

trichloroacetonitrile

B

trimer(ic) and tetramer(ic) trichloroacetonitrile

trimer(ic) and tetramer(ic) trichloroacetonitrile

Conditions
ConditionsYield
With chlorine; pyrographite at 300℃;
trichloroacetamide
594-65-0

trichloroacetamide

phosphoric acid anhydride

phosphoric acid anhydride

trichloroacetonitrile
545-06-2

trichloroacetonitrile

trichloroacetamide
594-65-0

trichloroacetamide

POCl3 (0.5 mol)

POCl3 (0.5 mol)

trichloroacetonitrile
545-06-2

trichloroacetonitrile

dichloroacetonitrile
3018-12-0

dichloroacetonitrile

NOCl

NOCl

A

dichloroacethyl chloride
79-36-7

dichloroacethyl chloride

B

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
at 200℃;
...Expand
trichlorophosphazotrichlorooxoethane
14335-48-9

trichlorophosphazotrichlorooxoethane

A

trichloroacetonitrile
545-06-2

trichloroacetonitrile

B

trichlorophosphate
10025-87-3, 12599-09-6, 63736-95-8

trichlorophosphate

Conditions
ConditionsYield
at 260℃;
tetrachloroethyliden-amidophosphoryl chloride
28460-70-0

tetrachloroethyliden-amidophosphoryl chloride

A

trichloroacetonitrile
545-06-2

trichloroacetonitrile

B

trichlorophosphate
10025-87-3, 12599-09-6, 63736-95-8

trichlorophosphate

Conditions
ConditionsYield
at 220℃;
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl-2,2,2-trichloroethanimidoate
849674-12-0

(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl-2,2,2-trichloroethanimidoate

C20H31FO7S2
920025-44-1

C20H31FO7S2

A

C30H37F7O7S2
920025-45-2

C30H37F7O7S2

B

C30H37F7O7S2
920025-46-3

C30H37F7O7S2

C

trichloroacetonitrile
545-06-2

trichloroacetonitrile

Conditions
ConditionsYield
Stage #1: (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl-2,2,2-trichloroethanimidoate; C20H31FO7S2 With tetrafluorohydroboric acid In dichloromethane; cyclohexane at -17 - 20℃; for 23.6667h;
Stage #2: With sodium hydroxide In dichloromethane; cyclohexane; water at 18 - 20℃; for 0.25h;
...Expand
2-phenylethanol
60-12-8

2-phenylethanol

trichloroacetonitrile
545-06-2

trichloroacetonitrile

β-phenylethyl trichloroacetimidate
99421-73-5

β-phenylethyl trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane100%
With sodium
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃;
trichloroacetonitrile
545-06-2

trichloroacetonitrile

benzyl alcohol
100-51-6

benzyl alcohol

O-benzyl 2,2,2-trichloroacetimidate
81927-55-1

O-benzyl 2,2,2-trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In n-heptane at 0℃; for 0.25h; Solvent;100%
With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide In dichloromethane; water at -15 - 20℃; for 1.5h;99%
With potassium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane at -15 - 25℃; for 1h;97%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

trichloroacetamide
594-65-0

trichloroacetamide

Conditions
ConditionsYield
With sulfuric acid In nitrobenzene; chlorobenzene at 60℃; Rate constant; Thermodynamic data; Mechanism; various temperatures, ΔG (excit.), ΔH (excit.), ΔS (excit.);100%
With sulfuric acid at 25℃;100%
With C19H23Cl2N6PRuS3*3ClH; water at 100℃; for 1h; Inert atmosphere; Schlenk technique;86%
3,4-dihydro-isoquinoline 2-oxide
24423-87-8

3,4-dihydro-isoquinoline 2-oxide

trichloroacetonitrile
545-06-2

trichloroacetonitrile

2-Trichloromethyl-5,9b-dihydro-4H-3-oxa-1,3a-diaza-cyclopenta[a]naphthalene
121994-35-2

2-Trichloromethyl-5,9b-dihydro-4H-3-oxa-1,3a-diaza-cyclopenta[a]naphthalene

Conditions
ConditionsYield
In toluene at 100℃; for 0.0333333h;100%
2,3,4-tri-O-benzyl-6-deoxy-α-L-galactopyranose
33639-75-7

2,3,4-tri-O-benzyl-6-deoxy-α-L-galactopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

O-(2,3,4-tri-O-benzyl-α-L-fucopyranosyl)trichloroacetimidate
120703-59-5

O-(2,3,4-tri-O-benzyl-α-L-fucopyranosyl)trichloroacetimidate

Conditions
ConditionsYield
With caesium carbonate In dichloromethane at 20℃; for 2h; Molecular sieve;100%
With 4 A molecular sieve; sodium hydride; potassium carbonate 1.) dichloromethane, 6.5 h; 2.) dichloromethane, 5 h, r.t.; Yield given. Multistep reaction;
2,3,4,6-Tetra-O-benzyl-D-glucopyranose
4291-69-4, 6386-24-9, 6564-72-3, 59531-24-7, 69257-52-9, 78184-89-1, 78609-16-2, 78609-17-3, 78609-18-4, 96553-53-6, 104111-61-7, 131347-08-5, 4132-28-9

2,3,4,6-Tetra-O-benzyl-D-glucopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl trichloroacetimidate
74808-09-6

2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl trichloroacetimidate

Conditions
ConditionsYield
In dichloromethane at 0℃; for 1h; Molecular sieve;100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 2h;98%
With sodium hydride In dichloromethane for 2.5h; Ambient temperature;96%
2,3,4,5-tetra-O-acetyl-D-glucopyranose
3947-62-4, 6207-76-7, 19235-21-3, 22554-70-7, 22860-22-6, 47339-09-3, 57884-82-9, 62057-79-8, 70191-05-8, 109525-54-4, 140147-37-1, 10343-06-3

2,3,4,5-tetra-O-acetyl-D-glucopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

O-(2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl)trichloroacetimidate
74808-10-9

O-(2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosyl)trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 1h;100%
polystyrene supported organic base (PS-DBU) In dichloromethane at 20℃; for 1.5h;99%
1,8-diazabicyclo[5.4.0]undec-7-ene at 0℃; for 1.5h; Addition;95%
2,3,4,6-tetra-O-acetyl-α/β-D-galactopyranose
3947-62-4, 6207-76-7, 10343-06-3, 19235-21-3, 22554-70-7, 22860-22-6, 57884-82-9, 62057-79-8, 70191-05-8, 109525-54-4, 140147-37-1, 47339-09-3

2,3,4,6-tetra-O-acetyl-α/β-D-galactopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

2,3,4,6-tetra-O-acetyl-α-galactopyranosyl trichloroacetimidate
86520-63-0

2,3,4,6-tetra-O-acetyl-α-galactopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 1h;100%
With potassium carbonate In dichloromethane at 20℃;96.1%
1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 1.5h; Addition;95%
C-phenyl-N-methylnitrone
3376-23-6, 7372-59-0, 59862-60-1

C-phenyl-N-methylnitrone

trichloroacetonitrile
545-06-2

trichloroacetonitrile

5-trichloromethyl-2-methyl-3-phenyl-2,3-dihydro-1,2,4-oxadiazole
121994-37-4

5-trichloromethyl-2-methyl-3-phenyl-2,3-dihydro-1,2,4-oxadiazole

Conditions
ConditionsYield
In toluene at 110℃; for 0.0333333h;100%
2,3,4-tri-O-benzyl-L-rhamnopyranose
210426-02-1

2,3,4-tri-O-benzyl-L-rhamnopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

(2S,3R,4R,5S,6S)-3,4,5-tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl 2,2,2-trichloroacetimidate
83866-10-8

(2S,3R,4R,5S,6S)-3,4,5-tris(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl 2,2,2-trichloroacetimidate

Conditions
ConditionsYield
With caesium carbonate In dichloromethane for 3.5h;100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;86%
With sodium hydride In dichloromethane for 0.5h; Ambient temperature;85%
With sodium hydride In dichloromethane at 20℃; for 1.5h;81%
2,3,4,6-tetra-O-benzyl-D-mannopyranose
4132-28-9, 4291-69-4, 6386-24-9, 6564-72-3, 59531-24-7, 69257-52-9, 78184-89-1, 78609-16-2, 78609-17-3, 78609-18-4, 96553-53-6, 104111-61-7, 131347-08-5

2,3,4,6-tetra-O-benzyl-D-mannopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

2,3,4,6-tetra-O-benzyl-α-D-mannopyranosyl trichloroacetimidate
74808-09-6, 90357-89-4, 90358-01-3, 103368-01-0, 103368-04-3, 103368-06-5, 104048-30-8, 104048-33-1, 114743-70-3, 132201-75-3, 132748-02-8, 83441-60-5

2,3,4,6-tetra-O-benzyl-α-D-mannopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 18h;100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;92%
With sodium hydride In dichloromethane for 30h; Ambient temperature;86%
(2R,3S)-2,3-epoxynerol
62777-72-4

(2R,3S)-2,3-epoxynerol

trichloroacetonitrile
545-06-2

trichloroacetonitrile

2,2,2-Trichloro-acetimidic acid (2R,3S)-3-methyl-3-(4-methyl-pent-3-enyl)-oxiranylmethyl ester
125414-25-7

2,2,2-Trichloro-acetimidic acid (2R,3S)-3-methyl-3-(4-methyl-pent-3-enyl)-oxiranylmethyl ester

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 1h;100%
6-O-acetyl-2,3,4-tri-O-benzyl-α/β-D-galactopyranoside
88567-49-1, 88567-50-4, 93361-01-4, 101802-94-2, 101802-97-5, 127875-38-1

6-O-acetyl-2,3,4-tri-O-benzyl-α/β-D-galactopyranoside

trichloroacetonitrile
545-06-2

trichloroacetonitrile

6-O-acetyl-2,3,4-tri-O-benzyl-α/β-D-galactopyranosyl trichloroacetimidate
125164-10-5, 125164-11-6, 143826-39-5, 143826-40-8

6-O-acetyl-2,3,4-tri-O-benzyl-α/β-D-galactopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With potassium carbonate In dichloromethane for 4.5h;100%
2-oxo-3-(ethoxycarbonyl)-3,4-dihydro-β-carboline
106544-20-1

2-oxo-3-(ethoxycarbonyl)-3,4-dihydro-β-carboline

trichloroacetonitrile
545-06-2

trichloroacetonitrile

(4R,10bR)-2-Trichloromethyl-4,5,10,10b-tetrahydro-3-oxa-1,3a,10-triaza-cyclopenta[a]fluorene-4-carboxylic acid ethyl ester
121994-30-7

(4R,10bR)-2-Trichloromethyl-4,5,10,10b-tetrahydro-3-oxa-1,3a,10-triaza-cyclopenta[a]fluorene-4-carboxylic acid ethyl ester

Conditions
ConditionsYield
In toluene at 80℃; for 0.0333333h;100%
O-(2,3,4-tri-O-benzyl-α-D-xylopyranosyl)-(1-3)-O-(2,4-di-O-benzyl-α-D-xylopyranosyl)-(1-3)-2,4,6-tri-O-acetyl-D-glucopyranose

O-(2,3,4-tri-O-benzyl-α-D-xylopyranosyl)-(1-3)-O-(2,4-di-O-benzyl-α-D-xylopyranosyl)-(1-3)-2,4,6-tri-O-acetyl-D-glucopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

O-(2,3,4-tri-O-benzyl-α-D-xylopyranosyl)-(1-3)-O-(2,4-di-O-benzyl-α-D-xylopyranosyl)-(1-3)-2,4,6-tri-O-acetyl-α,β-D-glucopyranosyl trichloroacetimidate
140420-64-0, 140420-75-3

O-(2,3,4-tri-O-benzyl-α-D-xylopyranosyl)-(1-3)-O-(2,4-di-O-benzyl-α-D-xylopyranosyl)-(1-3)-2,4,6-tri-O-acetyl-α,β-D-glucopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With CsCO3 In dichloromethane for 2h; Ambient temperature;100%
3-O-<3-O-(2,3,4,6-tetra-O-benzoyl-α-D-galactopyranosyl)-6-O-acetyl-2,4-di-O-benzoyl-β-D-galactopyranosyl>-6-O-acetyl-4-O-benzyl-2-deoxy-2-phthalimido-α/β-D-glucopyranose
143826-53-3, 143826-54-4

3-O-<3-O-(2,3,4,6-tetra-O-benzoyl-α-D-galactopyranosyl)-6-O-acetyl-2,4-di-O-benzoyl-β-D-galactopyranosyl>-6-O-acetyl-4-O-benzyl-2-deoxy-2-phthalimido-α/β-D-glucopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

3-O-<3-O-(2,3,4,6-tetra-O-benzoyl-α-D-galactopyranosyl)-6-O-acetyl-2,4-di-O-benzoyl-β-D-galactopyranosyl>-6-O-acetyl-4-O-benzyl-2-deoxy-2-phthalimido-α/β-D-glucopyranosyl trichloroacetimidate
143826-70-4, 143826-71-5

3-O-<3-O-(2,3,4,6-tetra-O-benzoyl-α-D-galactopyranosyl)-6-O-acetyl-2,4-di-O-benzoyl-β-D-galactopyranosyl>-6-O-acetyl-4-O-benzyl-2-deoxy-2-phthalimido-α/β-D-glucopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With potassium carbonate In dichloromethane for 4.5h; Ambient temperature;100%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

4-Methoxybenzyl alcohol
105-13-5

4-Methoxybenzyl alcohol

O-(4-methoxybenzyl)-trichloroacetimidate
89238-99-3

O-(4-methoxybenzyl)-trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In hexane at 0℃; for 0.25h; Solvent;100%
Stage #1: 4-Methoxybenzyl alcohol With sodium hydride In diethyl ether at 20℃; for 0.25h; Inert atmosphere;
Stage #2: trichloroacetonitrile In diethyl ether at 0℃;		98%
Stage #1: 4-Methoxybenzyl alcohol With sodium hydride In diethyl ether at 20℃; for 0.5h;
Stage #2: trichloroacetonitrile In diethyl ether at 0 - 20℃; Further stages.;		96%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

(2E)-3-phenyl-2-propen-1-ol
4407-36-7

(2E)-3-phenyl-2-propen-1-ol

1-(1-imino-2,2,2-trichloroethoxy)-3-phenyl-2(E)-propene
59874-81-6

1-(1-imino-2,2,2-trichloroethoxy)-3-phenyl-2(E)-propene

Conditions
ConditionsYield
With sodium hydride In diethyl ether at -10℃;100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 0.25h;98%
Stage #1: (2E)-3-phenyl-2-propen-1-ol With sodium hydride In diethyl ether; mineral oil at 20℃;
Stage #2: trichloroacetonitrile In diethyl ether; mineral oil at -10 - 20℃;		97%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

O--(2<*>3)-O-2-acetamido-3,4,6-tri-O-acetyl-2...

O--(2<*>3)-O-2-acetamido-3,4,6-tri-O-acetyl-2...

O--(2<*>3)-O-2-acetamido-3,4,6-tri-O-acetyl-2...

O--(2<*>3)-O-2-acetamido-3,4,6-tri-O-acetyl-2...

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 0.5h;100%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

C115H116O33

C115H116O33

O-(3-O-allyl-6-O-levulinoyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(2,3,4-tri-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-2,3,4-tri-O-toluoyl-α-D-glucopyranosyl trichloroacetimidate
187863-32-7

O-(3-O-allyl-6-O-levulinoyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(2,3,4-tri-O-toluoyl-β-D-glucopyranosyl)-(1->6)-O-(3-O-allyl-2,4-di-O-toluoyl-β-D-glucopyranosyl)-(1->6)-2,3,4-tri-O-toluoyl-α-D-glucopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 24h; Ambient temperature;100%
2,3,4,6-Tetra-O-benzyl-D-glucopyranose
4291-69-4, 6386-24-9, 6564-72-3, 59531-24-7, 69257-52-9, 78184-89-1, 78609-16-2, 78609-17-3, 78609-18-4, 96553-53-6, 104111-61-7, 131347-08-5, 4132-28-9

2,3,4,6-Tetra-O-benzyl-D-glucopyranose

trichloroacetonitrile
545-06-2

trichloroacetonitrile

2,3,4,6-tetra-O-benzyl-D-glucopyranose trichloroacetimidate
132201-75-3

2,3,4,6-tetra-O-benzyl-D-glucopyranose trichloroacetimidate

Conditions
ConditionsYield
With potassium carbonate In dichloromethane at 20℃; for 23h; Esterification;100%
With PTBD In dichloromethane at 20℃; for 2h;100%
With potassium carbonate In dichloromethane at 20℃; for 4h; Inert atmosphere;100%
biphenyl-4-yl methanol
3597-91-9

biphenyl-4-yl methanol

trichloroacetonitrile
545-06-2

trichloroacetonitrile

4-phenylbenzyl trichloroacetimidate
200057-74-5

4-phenylbenzyl trichloroacetimidate

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide In dichloromethane; water at 0 - 25℃;100%
Stage #1: biphenyl-4-yl methanol With sodium hydride In diethyl ether; oil at 20℃; for 0.0833333h;
Stage #2: trichloroacetonitrile In diethyl ether; oil at 20℃; for 2h;		97%
With sodium hydride In diethyl ether 1.) 20 min, 2.) r.t., 1 h;69%
With sodium hydride In diethyl ether at 20℃; for 1h;
Stage #1: biphenyl-4-yl methanol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h;
Stage #2: trichloroacetonitrile In tetrahydrofuran at 20℃; for 2h;
trichloroacetonitrile
545-06-2

trichloroacetonitrile

2-O-benzoyl-3,4,6-tri-O-benzyl-β-D-glucopyranoside
148926-02-7

2-O-benzoyl-3,4,6-tri-O-benzyl-β-D-glucopyranoside

O-(2-O-benzoyl-3,4,6-tri-O-benzyl-D-glucopyranosyl)trichloroacetimidate
213681-58-4

O-(2-O-benzoyl-3,4,6-tri-O-benzyl-D-glucopyranosyl)trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0℃; for 0.25h;100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at -30℃; for 0.5h; Addition;90%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

methyl O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-(1->2)-3,4,6-tri-O-acetyl-β-D-galactopyranosyl-(1->2)-3,4-di-O-acetyl-α-D-glucopyranuronate

methyl O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-(1->2)-3,4,6-tri-O-acetyl-β-D-galactopyranosyl-(1->2)-3,4-di-O-acetyl-α-D-glucopyranuronate

methyl O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-(1->2)-3,4,6-tri-O-acetyl-β-D-galactopyranosyl-(1->2)-3,4-di-O-acetyl-1-O-trichloroacetimidoyl-α-D-glucopyranuronate
208709-53-9

methyl O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranosyl)-(1->2)-3,4,6-tri-O-acetyl-β-D-galactopyranosyl-(1->2)-3,4-di-O-acetyl-1-O-trichloroacetimidoyl-α-D-glucopyranuronate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at -5℃; for 2h; Addition;100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at -5℃; for 2h; Yield given;
6-O-acetyl-1,5-anhydro-2,3-dideoxy-D-erythro-hex-2-enitol
128318-79-6

6-O-acetyl-1,5-anhydro-2,3-dideoxy-D-erythro-hex-2-enitol

trichloroacetonitrile
545-06-2

trichloroacetonitrile

6-O-acetyl-1,5-anhydro-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-D-erythro-hex-2-enitol
197449-41-5

6-O-acetyl-1,5-anhydro-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-D-erythro-hex-2-enitol

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane Addition;100%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

p-methoxyphenyl 6-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside
197449-37-9

p-methoxyphenyl 6-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside

p-methoxyphenyl 6-O-acetyl-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-α-D-erythro-hex-2-enopyranoside
197449-38-0

p-methoxyphenyl 6-O-acetyl-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-α-D-erythro-hex-2-enopyranoside

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at -17℃; for 0.25h; Addition;100%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

6-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranosyl 6-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside
197449-39-1

6-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranosyl 6-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside

6-O-acetyl-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-α-D-erythro-hex-2-enopyranosyl 6-O-acetyl-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-α-D-erythro-hex-2-enopyranoside
197449-40-4

6-O-acetyl-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-α-D-erythro-hex-2-enopyranosyl 6-O-acetyl-2,3-dideoxy-4-O-(1-imino-2,2,2-trichloroethyl)-α-D-erythro-hex-2-enopyranoside

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane Addition;100%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

6-O-benzyl-3-O-[(S)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranose

6-O-benzyl-3-O-[(S)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranose

6-O-benzyl-3-O-[(S)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranosyl trichloroacetimidate
192444-70-5

6-O-benzyl-3-O-[(S)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With caesium carbonate In dichloromethane at 20℃; for 0.5h; Addition;100%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

6-O-benzyl-3-O-[(R)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranose

6-O-benzyl-3-O-[(R)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranose

6-O-benzyl-3-O-[(R)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranosyl trichloroacetimidate
192196-09-1

6-O-benzyl-3-O-[(R)-3-(benzyloxy)tetradecanoyl]-2-deoxy-4-O-(1,5-dihydro-3-oxo-3λ5-3H-2,4,3-benzodioxaphosphepin-3-yl)-2-(2,2,2-trichloroethoxycarbonylamino)-D-glucopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With caesium carbonate In dichloromethane at 20℃; for 1h; Addition;100%
trichloroacetonitrile
545-06-2

trichloroacetonitrile

3-O,4-S-Dibenzoyl-2,6-dideoxy-4-thio-D-ribo-hexopyranose

3-O,4-S-Dibenzoyl-2,6-dideoxy-4-thio-D-ribo-hexopyranose

3-O,4-S-Dibenzoyl-2,6-dideoxy-4-thio-D-ribo-hexopyranosyl trichloroacetimidate
330450-30-1

3-O,4-S-Dibenzoyl-2,6-dideoxy-4-thio-D-ribo-hexopyranosyl trichloroacetimidate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 1h;100%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 1h; Ambient temperature;

Trichloroacetonitrile Chemical Properties

Product Name: Trichloroacetonitrile (CAS NO.545-06-2)


MF: C2Cl3N
MW: 144.39
EINECS: 208-885-7
Mol File: 545-06-2.mol 
Vapor pressure: 58 mm Hg ( 20 °C)
Refractive inde: n20/D 1.441(lit.) 
Storage temp. : 0-6°C 
Water Solubility : <0.1 g/100 mL at 21.5 °C
Sensitive : Lachrymatory
MP: -42 °C
BP: 83-84 °C(lit.) 
Density: 1.44 g/mL at 25 °C(lit.)
Index of Refraction:  1.489
Molar Refractivity:  25.74 cm3 
Molar Volume:  89.1 cm3
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Trichloroacetonitrile (CAS NO.545-06-2):
  IUPAC Name: 2,2,2-trichloroacetonitrile
  Canonical SMILES: C(#N)C(Cl)(Cl)Cl
  InChI: InChI=1S/C2Cl3N/c3-2(4,5)1-6
  InChIKey: DRUIESSIVFYOMK-UHFFFAOYSA-N
Product Categories: Organics; Aliphatics; Halides; C1 to C5Specialty Synthesis; Glycosylating Reagents; Carbohydrate Synthesis; C1 to C5; Cyanides/Nitriles; Nitrogen Compounds; NitrilesVolatiles/ Semivolatiles; Alpha Sort; Chemical Class; ChloroAnalytical Standards; Halogenated; TP - TZ; T-ZAlphabetic

Trichloroacetonitrile Uses

 Trichloroacetonitrile (CAS NO.545-06-2) is used as an insecticide.

Trichloroacetonitrile Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 311ppm/5H (311ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 235, 1949.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06416,
rabbit LCLo inhalation 311ppm/5H (311ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 235, 1949.
rabbit LD50 skin 900uL/kg (0.9mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 250ppm/4H (250ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 250mg/kg (250mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Trichloroacetonitrile Safety Profile

Safety Information of Trichloroacetonitrile (CAS NO.545-06-2):
Hazard Codes : TToxic,NDangerous
Risk Statements : 23/24/25-51/53 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements : 45-61 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR : UN 3276 6.1/PG 3
WGK Germany : 3
RTECS : AM2450000
Hazard Note : Toxic/Lachrymatory
HazardClass : 8
PackingGroup : II
HS Code : 29269095

Trichloroacetonitrile Specification

 Trichloroacetonitrile , its CAS NO. is 545-06-2, the synonyms are Nitrile trichloracetique ;  Trichlor-acetonitril ; Trichlormethylkyanid ; Trichloroethanenitrile ; Trichloromethyl cyanide ; Trichloromethylnitrile ; Trichlouracetonitril ; Tritox ; Acetonitrile, 2,2,2-trichloro- ; Acetonitrile, trichloro- .

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