Product Name

  • Name

    1H-Benzotriazole

  • EINECS 202-394-1
  • CAS No. 95-14-7
  • Article Data127
  • CAS DataBase
  • Density 1.348 g/cm3
  • Solubility 25 g/l in water
  • Melting Point 97-99 °C(lit.)
  • Formula C6H5N3
  • Boiling Point 276.1 °C at 760 mmHg
  • Molecular Weight 119.126
  • Flash Point 133.9 °C
  • Transport Information
  • Appearance yellow to beige solid
  • Safety 26-36/37-61-45-36/37/39-28A
  • Risk Codes 20/22-36-52/53-5-36/37/38-20/21/22-11
  • Molecular Structure Molecular Structure of 95-14-7 (1H-Benzotriazole)
  • Hazard Symbols HarmfulXn,IrritantXi,FlammableF
  • Synonyms M 318;NSC 3058;RusminR;Seetec BT;Seetec BT-R;Verzone Crystal;Benzotriazole;1,2,3-Benzotriazole (BTA);1,2,3-1H-Benzotriazole;1,2,3-Benzotriazole;1,2,3-Triaza-1H-indene;1,2,3-Triazaindene;1,2-Aminoazophenylene;1H-1,2,3-Benzotriazole;2,3-Diazaindole;Azimidobenzene;Aziminobenzene;BLS 1326;BT 120 (lubricant additive);BTA;Benzeneazimide;C.V.I. Liquid;CVI;Cobratec 35G;Cobratec 99;D32-108;Entek;HY 2;ISK 3;Irgastab I 489;Kemitec TT;
  • PSA 41.57000
  • LogP 0.95790

Synthetic route

morpholine
110-91-8

morpholine

di(1,2,3-benzotriazol-1-yl) sulfide

di(1,2,3-benzotriazol-1-yl) sulfide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N,N'-thiodimorpholine
5038-11-9

N,N'-thiodimorpholine

Conditions
ConditionsYield
In 1,2-dichloro-ethane at 20 - 25℃; for 2h;A 100%
B 93%
(R)-1-phenyl-ethyl-amine
3886-69-9

(R)-1-phenyl-ethyl-amine

1-(trifluoroacetyl)benzotriazole
183266-61-7

1-(trifluoroacetyl)benzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-<(R)-(+)-α-phenylethyl>-2,2,2-trifluoroacetamide
2354-91-8, 28332-81-2, 39995-50-1, 39995-51-2

N-<(R)-(+)-α-phenylethyl>-2,2,2-trifluoroacetamide

Conditions
ConditionsYield
In tetrahydrofuran for 4h; Ambient temperature;A n/a
B 100%
<2-(benzotriazol-1-yl)-2-phenyl-1-(4-tolyl)>ethyl allyl ether

<2-(benzotriazol-1-yl)-2-phenyl-1-(4-tolyl)>ethyl allyl ether

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With sodium naphthalenide In tetrahydrofuran for 25h; Heating;A 100%
B 71%
1,2-diamino-benzene
95-54-5

1,2-diamino-benzene

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In methanol99.9%
With K10 Montmorillonite Clay; sodium nitrite In neat (no solvent, solid phase) at 110℃; for 1h; Catalytic behavior; Solvent; Temperature; Time; Microwave irradiation; Green chemistry;99%
With sodium nitrite In water at 260℃; for 3h; Autoclave; Inert atmosphere; Large scale;98.4%
N-(1-Benzotriazol-1-yl-2-methyl-propyl)-thiobenzamide
117067-51-3

N-(1-Benzotriazol-1-yl-2-methyl-propyl)-thiobenzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-isobutylthiobenzamide
19090-58-5

N-isobutylthiobenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 0.5h; Heating;A n/a
B 99%
N-(1-Benzotriazol-1-yl-nonyl)-benzamide
117067-50-2

N-(1-Benzotriazol-1-yl-nonyl)-benzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-nonylbenzamide
119020-89-2

N-nonylbenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 99%
tert-butyl 1H-benzo[d][1,2,3]triazole-1-carboxylate
130384-98-4

tert-butyl 1H-benzo[d][1,2,3]triazole-1-carboxylate

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With water at 100℃; for 0.0833333h;99%
N-(1-benzotriazol-1-yl-1-phenylmethyl)acetamide
119020-88-1

N-(1-benzotriazol-1-yl-1-phenylmethyl)acetamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-(phenylmethyl)acetamide
588-46-5

N-(phenylmethyl)acetamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 98%
N-(benzotriazol-1-ylmethyl)thiobenzoamide
117067-55-7

N-(benzotriazol-1-ylmethyl)thiobenzoamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-methylthiobenzamide
5310-14-5

N-methylthiobenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 0.5h; Heating;A n/a
B 98%
N-<α-(benzotriazol-1-yl)nonyl>thiobenzamide
117759-81-6

N-<α-(benzotriazol-1-yl)nonyl>thiobenzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-Nonyl-thiobenzamide
117759-91-8

N-Nonyl-thiobenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 0.5h; Heating;A n/a
B 97%
N-(1-Benzotriazol-1-yl-hexyl)-benzamide
119020-86-9

N-(1-Benzotriazol-1-yl-hexyl)-benzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-hexylbenzamide
4773-75-5

N-hexylbenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 97%
2-Methylbutylamine
96-15-1

2-Methylbutylamine

1-(trifluoroacetyl)benzotriazole
183266-61-7

1-(trifluoroacetyl)benzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-(2-methylbutyl)-2,2,2-trifluoroacetamide
14618-17-8

N-(2-methylbutyl)-2,2,2-trifluoroacetamide

Conditions
ConditionsYield
In tetrahydrofuran for 3h; Ambient temperature;A n/a
B 97%
benzo-1,2,3,4-tetrazine 1,3-dioxide
128767-05-5

benzo-1,2,3,4-tetrazine 1,3-dioxide

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With tin(ll) chloride In ethanol; ethyl acetate at 20℃;97%
1-(4'-methylbenzenesulfonyl)-1H-benzo[d][1.2.3]triazole
1028-19-9

1-(4'-methylbenzenesulfonyl)-1H-benzo[d][1.2.3]triazole

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With toluene-4-sulfonic acid In water at 80℃; for 4h;97%
With sodium hydride In N,N-dimethyl acetamide at 60℃; for 2h; Inert atmosphere;81%
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 1h; Inert atmosphere; Darkness; Schlenk technique;67%
With cetyltrimethylammonim bromide; potassium hydroxide In tetrahydrofuran; water at 20℃; for 0.666667h; Green chemistry;
N-(1H-benzotriazol-1-ylmethyl)benzamide
111184-75-9

N-(1H-benzotriazol-1-ylmethyl)benzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-methylbenzamide
88070-48-8

N-methylbenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 96%
N-(1-Benzotriazol-1-yl-2-methyl-propyl)-benzamide
117067-46-6

N-(1-Benzotriazol-1-yl-2-methyl-propyl)-benzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-isobutyl-benzamide
5705-57-7

N-isobutyl-benzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 96%
N-(1-Benzotriazol-1-yl-butyl)-benzamide
117067-47-7

N-(1-Benzotriazol-1-yl-butyl)-benzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-butylbenzamide
2782-40-3

N-butylbenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 96%
1,2-Dinitrobenzene
528-29-0

1,2-Dinitrobenzene

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
With zinc phthalocyanine; hydrazine hydrate In PEG-400 at 100℃; for 8h;96%
benzotriazol-1-ol
2592-95-2

benzotriazol-1-ol

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
Stage #1: benzotriazol-1-ol With triethylamine In acetonitrile at 20℃; for 0.5h;
Stage #2: With tetrahydroxydiboron In acetonitrile at 50℃; for 0.5h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent;
95%
With 2,3-dimethyl-2,3-butane diol In N,N-dimethyl acetamide at 120℃; for 0.25h; Microwave irradiation; Sealed tube; Green chemistry;82%
With phosphorus; hydrogen iodide at 140 - 150℃;
N-<α-(benzotriazol-1-yl)octyl>thiobenzamide
117759-80-5

N-<α-(benzotriazol-1-yl)octyl>thiobenzamide

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-octylbenzothioamide
117759-90-7

N-octylbenzothioamide

Conditions
ConditionsYield
With sodium tetrahydroborate In tetrahydrofuran for 0.5h; Heating;A n/a
B 95%
tert-butylamine
75-64-9

tert-butylamine

1-(trifluoroacetyl)benzotriazole
183266-61-7

1-(trifluoroacetyl)benzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-tert-butyl-2,2,2-trifluoroethanamide
1960-29-8

N-tert-butyl-2,2,2-trifluoroethanamide

Conditions
ConditionsYield
In tetrahydrofuran for 3h; Ambient temperature;A n/a
B 95%
1-(trifluoroacetyl)benzotriazole
183266-61-7

1-(trifluoroacetyl)benzotriazole

benzyl alcohol
100-51-6

benzyl alcohol

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

benzyl trifluoroacetate
351-70-2

benzyl trifluoroacetate

Conditions
ConditionsYield
In tetrahydrofuran for 3h; Heating;A n/a
B 95%
(1H-benzo[d][1,2,3]triazol-1-yl)(3-chlorophenyl)methanone
92133-96-5

(1H-benzo[d][1,2,3]triazol-1-yl)(3-chlorophenyl)methanone

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

1,2-bis(3-chlorophenyl)ethane-1,2-dione
35190-07-9

1,2-bis(3-chlorophenyl)ethane-1,2-dione

Conditions
ConditionsYield
With samarium diiodide In tetrahydrofuran at 20℃; for 0.0833333h;A n/a
B 95%
(1H-benzo[d][1,2,3]triazol-1-yl)(4-bromophenyl)methanone
313225-01-3

(1H-benzo[d][1,2,3]triazol-1-yl)(4-bromophenyl)methanone

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

4,4'-dibromobenzil
35578-47-3

4,4'-dibromobenzil

Conditions
ConditionsYield
With samarium diiodide In tetrahydrofuran at 20℃; for 0.0833333h;A n/a
B 95%
acetic acid
64-19-7

acetic acid

1,2-diamino-benzene
95-54-5

1,2-diamino-benzene

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Conditions
ConditionsYield
Stage #1: acetic acid; 1,2-diamino-benzene With sodium nitrite In water at 8 - 87℃; for 0.0583333h;
Stage #2: at -20℃; Temperature;
95%
(2R,3R,4R,5R)-4-(acetyloxty)-2-[(acetyloxy)methyl]-5-(1H-1,2,3-benzotriazol-1-yl)tetrahydro-3-furanyl acetate
54548-46-8

(2R,3R,4R,5R)-4-(acetyloxty)-2-[(acetyloxy)methyl]-5-(1H-1,2,3-benzotriazol-1-yl)tetrahydro-3-furanyl acetate

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

1,2,3,5-tetraacetylribose
13035-61-5

1,2,3,5-tetraacetylribose

Conditions
ConditionsYield
With acetic anhydride; trifluoroacetic acid at 95℃;A n/a
B 94.3%
1-benzotriazolyl-N-benzoyl-1-phenylmethylamine
117067-48-8

1-benzotriazolyl-N-benzoyl-1-phenylmethylamine

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-benzylbenzamide
1485-70-7

N-benzylbenzamide

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol for 3h; Heating;A n/a
B 94%
4-chloro-phenol
106-48-9

4-chloro-phenol

1-(trifluoroacetyl)benzotriazole
183266-61-7

1-(trifluoroacetyl)benzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

4-chlorophenyl trifluoroacetate
658-74-2

4-chlorophenyl trifluoroacetate

Conditions
ConditionsYield
In tetrahydrofuran for 6h; Heating;A n/a
B 94%
1-[1-(4-Fluoro-phenyl)-2-((2S,5S)-5-methyl-tetrahydro-furan-2-yl)-ethyl]-1H-benzotriazole

1-[1-(4-Fluoro-phenyl)-2-((2S,5S)-5-methyl-tetrahydro-furan-2-yl)-ethyl]-1H-benzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

(2R,5S)-2-[2-(4-Fluoro-phenyl)-ethyl]-5-methyl-tetrahydro-furan

(2R,5S)-2-[2-(4-Fluoro-phenyl)-ethyl]-5-methyl-tetrahydro-furan

Conditions
ConditionsYield
With naphthalen-1-yl-lithium In tetrahydrofuran for 0.0833333h; further reagent sodium naphthalenide;A 94%
B 61%
naphthalen-2-ylamine
91-59-8

naphthalen-2-ylamine

1-(trifluoroacetyl)benzotriazole
183266-61-7

1-(trifluoroacetyl)benzotriazole

A

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

B

N-(2-naphthyl)-2,2,2-trifluoroacetamide
398-48-1

N-(2-naphthyl)-2,2,2-trifluoroacetamide

Conditions
ConditionsYield
In tetrahydrofuran for 3h; Ambient temperature;A n/a
B 93%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

acetyl chloride
75-36-5

acetyl chloride

1-acetyl-1H-benzotriazole
18773-93-8

1-acetyl-1H-benzotriazole

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 0.5h; Cooling;100%
With triethylamine In dichloromethane at 0℃; for 0.5h; Claisen Condensation; Inert atmosphere;96%
With triethylamine In dichloromethane for 0.5h; Ambient temperature;95%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

formaldehyd
50-00-0

formaldehyd

n-dioctylamine
1120-48-5

n-dioctylamine

1-(benzotriazol-1'-yl)methyl-N,N-dioctylamine
120803-37-4

1-(benzotriazol-1'-yl)methyl-N,N-dioctylamine

Conditions
ConditionsYield
1.) methanol, water, 7 h, 2.) Et2O, reflux, overnight;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

nonan-1-al
124-19-6

nonan-1-al

1-Benzotriazol-1-yl-nonan-1-ol
111507-85-8

1-Benzotriazol-1-yl-nonan-1-ol

Conditions
ConditionsYield
at 25℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

heptanal
111-71-7

heptanal

1-Benzotriazol-1-yl-heptan-1-ol
111507-84-7

1-Benzotriazol-1-yl-heptan-1-ol

Conditions
ConditionsYield
at 25℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

pentanal
110-62-3

pentanal

1-Benzotriazol-1-yl-pentan-1-ol
111507-82-5

1-Benzotriazol-1-yl-pentan-1-ol

Conditions
ConditionsYield
at 25℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

Glyoxal
131543-46-9

Glyoxal

meso-1,2-Di(benzotriazol-1-yl)ethane-1,2-diol
111507-88-1

meso-1,2-Di(benzotriazol-1-yl)ethane-1,2-diol

Conditions
ConditionsYield
sulfuric acid In water; acetic acid at 25℃; for 24h;100%
With acetic acid In water at 20℃;96%
With sulfuric acid; acetic acid In water at 25 - 70℃; for 24h;
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

propionaldehyde
123-38-6

propionaldehyde

1-Benzotriazol-1-yl-propan-1-ol
111507-79-0

1-Benzotriazol-1-yl-propan-1-ol

Conditions
ConditionsYield
at 25℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

pivalaldehyde
630-19-3

pivalaldehyde

1-Benzotriazol-1-yl-2,2-dimethyl-propan-1-ol
111507-83-6

1-Benzotriazol-1-yl-2,2-dimethyl-propan-1-ol

Conditions
ConditionsYield
at 25℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

butyraldehyde
123-72-8

butyraldehyde

1-(1H-Benzotriazol-1-yl)-1-chlorobutane
111098-58-9

1-(1H-Benzotriazol-1-yl)-1-chlorobutane

Conditions
ConditionsYield
With thionyl chloride In chloroform for 0.5h; Heating;100%
With thionyl chloride
With thionyl chloride
With thionyl chloride 1.) benzene, r.t., 0.5 h, 2.) r.t. 2 h; Yield given. Multistep reaction;
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

butyraldehyde
123-72-8

butyraldehyde

1-Benzotriazol-1-yl-butan-1-ol
111507-80-3

1-Benzotriazol-1-yl-butan-1-ol

Conditions
ConditionsYield
at 25℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

n-valeryl chloride
638-29-9

n-valeryl chloride

1H-1,2,3-benzotriazol-1-yl(n-butyl)methanone
84298-28-2

1H-1,2,3-benzotriazol-1-yl(n-butyl)methanone

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 0.5h; Cooling;100%
With triethylamine In dichloromethane cooling;91%
at 80 - 100℃; for 0.25h;79%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

isobutyraldehyde
78-84-2

isobutyraldehyde

1-Benzotriazol-1-yl-2-methyl-propan-1-ol
111507-81-4

1-Benzotriazol-1-yl-2-methyl-propan-1-ol

Conditions
ConditionsYield
at 25℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

perfluorobenzaldehyde
653-37-2

perfluorobenzaldehyde

dibenzylamine
103-49-1

dibenzylamine

1-(1-benzotriazol-1-yl)-1-dibenzylamino-1-pentafluorophenylmethane

1-(1-benzotriazol-1-yl)-1-dibenzylamino-1-pentafluorophenylmethane

Conditions
ConditionsYield
In benzene Ambient temperature;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

1-(trifluoroacetyl)benzotriazole
183266-61-7

1-(trifluoroacetyl)benzotriazole

Conditions
ConditionsYield
In tetrahydrofuran for 0.5h; Ambient temperature;100%
In tetrahydrofuran
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

4-(bromomethyl)benzene-1-sulfonyl chloride
66176-39-4

4-(bromomethyl)benzene-1-sulfonyl chloride

1-(4-bromomethyl-benzenesulfonyl)-1H-benzotriazole

1-(4-bromomethyl-benzenesulfonyl)-1H-benzotriazole

Conditions
ConditionsYield
With triethylamine In diethyl ether at 20℃; for 3h; Substitution;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

1-(methanesulfonyl)-1H-1,2,3-benzotriazole
37073-15-7

1-(methanesulfonyl)-1H-1,2,3-benzotriazole

Conditions
ConditionsYield
With pyridine In toluene at 0 - 20℃; Inert atmosphere;100%
With pyridine In toluene at 0 - 20℃;93.8%
With pyridine In toluene at 20℃; Inert atmosphere; Cooling with ice;93%
morpholine
110-91-8

morpholine

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

β-naphthaldehyde
66-99-9

β-naphthaldehyde

[1-(4-morpholino)-1-(2-naphthyl)]methyl-1H-1,2,3-benzotriazole
433232-15-6

[1-(4-morpholino)-1-(2-naphthyl)]methyl-1H-1,2,3-benzotriazole

Conditions
ConditionsYield
In ethanol at 20℃; for 15h;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

1H-1,2,3-benzotriazol-1-yl-4-nitrophenylmethanone
4231-71-4

1H-1,2,3-benzotriazol-1-yl-4-nitrophenylmethanone

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 20℃; for 8.5h;100%
With thionyl chloride In dichloromethane at 20℃;91%
With thionyl chloride In dichloromethane at 20℃; for 2h;91.4%
2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionyl chloride

2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionyl chloride

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

α-Phthalimido-β-(3-methoxyphenyl)-propionamid
56876-11-0

α-Phthalimido-β-(3-methoxyphenyl)-propionamid

N-[benzotriazol-1-yl-(4-bromo-phenyl)-methyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionamide
872690-16-9

N-[benzotriazol-1-yl-(4-bromo-phenyl)-methyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionamide

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene Heating;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

α-Phthalimido-β-(3-methoxyphenyl)-propionamid
56876-11-0

α-Phthalimido-β-(3-methoxyphenyl)-propionamid

benzaldehyde
100-52-7

benzaldehyde

N-(benzotriazol-1-yl-phenyl-methyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionamide
872690-15-8

N-(benzotriazol-1-yl-phenyl-methyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-methoxy-phenyl)-propionamide

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene Heating;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

(S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide
21946-94-1

(S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide

N-[benzotriazol-1-yl-(4-chloro-phenyl)-methyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionamide

N-[benzotriazol-1-yl-(4-chloro-phenyl)-methyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionamide

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene Heating;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

benzaldehyde
100-52-7

benzaldehyde

(S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide
21946-94-1

(S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide

N-(benzotriazol-1-yl-phenyl-methyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionamide

N-(benzotriazol-1-yl-phenyl-methyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionamide

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene Heating;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

(S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide
21946-94-1

(S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide

N-[benzotriazol-1-yl-(4-bromo-phenyl)-methyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionamide

N-[benzotriazol-1-yl-(4-bromo-phenyl)-methyl]-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-propionamide

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene Heating;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

formaldehyd
50-00-0

formaldehyd

benzyl-methyl-amine
103-67-3

benzyl-methyl-amine

N-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-N-methyl-1-phenylmethanamine
57684-27-2

N-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-N-methyl-1-phenylmethanamine

Conditions
ConditionsYield
In methanol; diethyl ether; water Reflux;100%
In methanol; water at 50℃; for 15h;85%
In water
[2-(2-thyenyl)ethyl]amine
30433-91-1

[2-(2-thyenyl)ethyl]amine

1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

formaldehyd
50-00-0

formaldehyd

benzotriazol-1-ylmethyl-(2-thiophen-2-yl-ethyl)-amine
1201693-98-2

benzotriazol-1-ylmethyl-(2-thiophen-2-yl-ethyl)-amine

Conditions
ConditionsYield
In diethyl ether; water at 20℃;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

(1H‑1,2,3‑benzotriazol‑1‑yl)(3‑nitrophenyl)methanone

(1H‑1,2,3‑benzotriazol‑1‑yl)(3‑nitrophenyl)methanone

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 20℃; for 8.5h;100%
Stage #1: 1,2,3-Benzotriazole With thionyl chloride In dichloromethane at 25℃; for 0.5h;
Stage #2: 3-nitrobenzoic acid In dichloromethane at 25℃; for 3h;
89%
Stage #1: 3-nitrobenzoic acid With iodine; triphenylphosphine In dichloromethane at 0℃; for 0.5h;
Stage #2: 1,2,3-Benzotriazole In dichloromethane at 0℃; for 0.166667h;
Stage #3: With triethylamine In dichloromethane at 20℃; for 1h;
70%
Stage #1: 3-nitrobenzoic acid With 1,3,5-trichloro-2,4,6-triazine; triethylamine In dichloromethane at 0℃; for 0.166667h;
Stage #2: 1,2,3-Benzotriazole In dichloromethane at 0 - 25℃; for 1h;
70%
With thionyl chloride In dichloromethane at 20℃;
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

ortho-nitrobenzoic acid
552-16-9

ortho-nitrobenzoic acid

(1H-benzo[d][1,2,3]triazol-1-yl)(2-nitrophenyl)methanone

(1H-benzo[d][1,2,3]triazol-1-yl)(2-nitrophenyl)methanone

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 20℃; for 8.5h;100%
Stage #1: ortho-nitrobenzoic acid With trichloroisocyanuric acid; triphenylphosphine In dichloromethane at 20℃; for 0.5h;
Stage #2: 1,2,3-Benzotriazole In dichloromethane at 20℃;
64%
With thionyl chloride In dichloromethane at 20℃;

1H-Benzotriazole Chemical Properties

Empirical Formula: C6H5N3
Molecular Weight: 119.124
Nominal Mass: 119 Da
Average Mass: 119.124 Da
Monoisotopic Mass: 119.048347 Da 
EINECS: 202-394-1 
Index of Refraction: 1.715
Molar Refractivity: 34.71 cm3
Molar Volume: 88.3 cm3
Surface Tension: 73.9 dyne/cm
Density: 1.348 g/cm3
Flash Point: 133.9 °C
Enthalpy of Vaporization: 51.46 kJ/mol
Boiling Point: 276.1 °C at 760 mmHg
Vapour Pressure: 0.00491 mmHg at 25 °C
Melting point: 97-99 °C(lit.)
Water solubility: 025 g/l in water (20 °C)
Appearance: White to light tan crystals or white powder
Structure of 1H-Benzotriazole (CAS NO.95-14-7):
                       
IUPAC Name: 2H-Benzotriazole
Canonical SMILES: C1=CC2=NNN=C2C=C1
InChI: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
Product Category of 1H-Benzotriazole (CAS NO.620-17-7): Industrial/Fine Chemicals;Heterocyclic Compounds;Imidaxoles;Copper corrosion inhibitor;Organic Chemicals

1H-Benzotriazole History

It is produced by reaction of o-phenylenediamine, sodium nitrite and acetic acid. The conversion proceeds via diazotization of one of the amine groups.

1H-Benzotriazole Uses

 1H-Benzotriazole (CAS NO.95-14-7) is used as a corrosion inhibitor, an aircraft deicer and anti-icer fluid as well as for silver protection in dishwashing detergents.

1H-Benzotriazole Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 500mg/kg (500mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(11), Pg. 70, 1981.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Farmakologiya i Toksikologiya Vol. 41, Pg. 708, 1978.
Link to PubMed
mouse LD50 intravenous 238mg/kg (238mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
Link to PubMed
mouse LD50 oral 615mg/kg (615mg/kg)   National Technical Information Service. Vol. AD-A067-313,
rabbit LDLo skin 450mg/kg (450mg/kg)   National Technical Information Service. Vol. OTS0520182,
rat LC50 inhalation 1910mg/m3/3H (1910mg/m3) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0520637,
rat LD50 oral 560mg/kg (560mg/kg)   National Technical Information Service. Vol. OTS0516797,
rat LD50 skin > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. OTS0516745,

  1H-Benzotriazole (CAS NO.95-14-7) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.

1H-Benzotriazole Safety Profile

Hazard Codes: HarmfulXn,IrritantXi,FlammableF
Risk Statements: 20/22-36-52/53-5-36/37/38-20/21/22-11
R11:Highly flammable. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R20/22:Harmful by inhalation and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R36:Irritating to eyes. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36/37-61-45-36/37/39-28A 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37:Wear suitable protective clothing and gloves. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
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.

1H-Benzotriazole Specification

 1H-Benzotriazole , its cas register number is 95-14-7. It also can be called 1,2,3-Benzotriazole ; Benzotriazole ; 1,2,-Aminozophenylene ; and Azimidobenzene . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, 1H-Benzotriazole (CAS NO.95-14-7) is light sensitive. Dusts may form an explosion hazard. It is not compatible with strong oxidizing agents, heavy metals, and you must not take it with incompatible materials, light, ignition sources, heat. And also prevent it to broken down into hazardous decomposition products: Nitrogen oxides, carbon monoxide, carbon dioxide.

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