Trichloroacetic anhydride supplier

Name
TRICHLOROACETIC ANHYDRIDE
EINECS 223-925-3
CAS No. 4124-31-6
Article Data20
CAS DataBase
Density 1.888 g/cm³
Solubility
Melting Point
Formula C₄Cl₆O₃
Boiling Point 221.7 °C at 760 mmHg
Molecular Weight 308.76
Flash Point 79.5 °C
Transport Information UN 3265 8/PG 2
Appearance colourless liquid
Safety 26-36/37/39-45
Risk Codes 22-35
Molecular Structure
Hazard Symbols C
Synonyms Aceticacid, trichloro-, anhydride (6CI,7CI,8CI,9CI);Trichloracetic anhydride;Trichloroacetic acid anhydride;
PSA 43.37000
LogP 2.79660

Synthetic route

: 76-03-9
trichloroacetic acid

: 4124-31-6
trichloroacetic acid anhydride

Conditions

Conditions	Yield
With thionyl chloride In N,N-dimethyl-formamide at 120℃; for 5h;	60%
With phosphorus pentoxide at 210℃;
With 1-ethoxyacetylene

: 84103-77-5
O-acetyl S,S-dipropyl phosphorodithioite

A: 32676-68-9
mixed anhydride of acetic and trichloroacetic acids

B: 4104-04-5
dipropyl phosphorochloridodithioite

C: 108-24-7
acetic anhydride

D: 4124-31-6
trichloroacetic acid anhydride

Conditions

Conditions	Yield
With trifluoroacetyl chloride for 1h; Ambient temperature;	A n/a B 50% C n/a D n/a

...Expand

: 76-02-8
Trichloroacetyl chloride

: 76-03-9
trichloroacetic acid

: 4124-31-6
trichloroacetic acid anhydride

Conditions

Conditions	Yield
zeitlicher Verlauf bei Siedetemperatur;
With potassium chloride

: 75-09-2
dichloromethane

: 6443-91-0
ethynyl methyl ether

: 76-03-9
trichloroacetic acid

: 4124-31-6
trichloroacetic acid anhydride

...Expand

: 90724-35-9
1-Ethoxyvinyl trichloroacetate

: 76-03-9
trichloroacetic acid

: 4124-31-6
trichloroacetic acid anhydride

Conditions

Conditions	Yield
With diethyl ether

: 76-03-9
trichloroacetic acid

A: 76-02-8
Trichloroacetyl chloride

B: 4124-31-6
trichloroacetic acid anhydride

Conditions

Conditions	Yield
With phosphorus trichloride

: 76-02-8
Trichloroacetyl chloride

: 76-03-9
trichloroacetic acid

potassium chloride: potassium chloride

: 4124-31-6
trichloroacetic acid anhydride

Conditions

Conditions	Yield
zeitlicher Verlauf bei Siedetemperatur;

...Expand

: 60-29-7
diethyl ether

: 927-80-0
1-ethoxyacetylene

: 76-03-9
trichloroacetic acid

A: 90724-35-9
1-Ethoxyvinyl trichloroacetate

B: 141-78-6
ethyl acetate

C: 4124-31-6
trichloroacetic acid anhydride

D 4-ethoxy-1,1,1-trichloro-4ξ-trichloroacetoxy-but-3-en-2-one: 4-ethoxy-1,1,1-trichloro-4ξ-trichloroacetoxy-but-3-en-2-one

...Expand

sodium trichloroacetate: sodium trichloroacetate

: 4124-31-6
trichloroacetic acid anhydride

Conditions

Conditions	Yield
With phosgene; acetic acid ester
With phosgene; oxalic acid ester
With sulfuryl dichloride; acetic acid ester
With sulfuryl dichloride; oxalic acid ester

: 104917-77-3
Dimethylsulfonium-trifluoracetyl-methylid

: 4124-31-6
trichloroacetic acid anhydride

: 1-Trichloracetyl-2-oxo-3-trifluor-1-dimethylsulfonium-1-yl-propanid

Conditions

Conditions	Yield
In tetrahydrofuran at 24℃; for 4h;	100%

: 6386-24-9
2,3,4,6-tetra-O-benzyl-D-galactopyranose

: 4124-31-6
trichloroacetic acid anhydride

: 155500-50-8
2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl trichloroacetate

Conditions

Conditions	Yield
With sodium trichloroacetate In dichloromethane for 2h; Heating;	100%

: 849833-56-3, 35613-84-4, 1202858-97-6
N-hydroxyisobutyramidine

: 4124-31-6
trichloroacetic acid anhydride

: 1199-49-1
3-isopropyl-5-(trichloromethyl)-1,2,4-oxadiazole

Conditions

Conditions	Yield
In toluene for 1h; Reflux;	100%
In toluene for 1h; Reflux;
In toluene for 1h; Reflux;

: 1343487-95-5
di-p-tolyldi(2-pyrrolyl)methane

: 4124-31-6
trichloroacetic acid anhydride

: C27H20Cl6N2O2

Conditions

Conditions	Yield
With dmap In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	100%

: 107733-62-0
benzyl crotyl amine

: 4124-31-6
trichloroacetic acid anhydride

: N-benzyl-N-(but-2-enyl)carbamoyl chloride

Conditions

Conditions	Yield
With pyridine In benzene for 96h;	99.5%

: 132872-29-8
N-benzyl-N-<1-(2'-benzyloxyethyl)-3-methylbut-2-enyl>amine

: 4124-31-6
trichloroacetic acid anhydride

: 132872-30-1
N-benzyl-N-<1-(2'-benzyloxyethyl)-3-methylbut-2-enyl>carbamoyl chloride

Conditions

Conditions	Yield
With pyridine In benzene for 96h;	99.5%

: 20771-21-5, 51842-23-0, 51842-24-1, 117561-20-3, 125884-32-4, 51842-22-9
methyl 2,3-di-O-benzyl-6-O-acetyl-α-D-glucopyranoside

: 4124-31-6
trichloroacetic acid anhydride

: 79705-88-7
Methyl-6-O-acetyl-2,3-di-O-benzyl-4-O-trichloracetyl-α-D-glucopyranosid

Conditions

Conditions	Yield
In pyridine at -20℃; for 0.416667h;	99%

: 59464-21-0
1,6-anhydro-2-azido-4-O-benzyl-2-deoxy-β-D-galactopyranose

: 4124-31-6
trichloroacetic acid anhydride

: 1,6-Anhydro-2-azido-4-O-benzyl-2-desoxy-3-O-trichloracetyl-β-D-galactopyranose

Conditions

Conditions	Yield
In pyridine at -20℃; for 0.5h;	99%

: Acetic acid (3R,4S,5R,6R)-3-acetoxy-6-acetoxymethyl-2-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(2-oxo-propyl)-tetrahydro-pyran-2-yloxy]-tetrahydro-pyran-4-yl ester

: 4124-31-6
trichloroacetic acid anhydride

: 2,3,4-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α/β-D-glucopyranosyl trichloroacetate

Conditions

Conditions	Yield
With sodium trichloroacetate In dichloromethane for 6h; Heating;	99%

: 6386-24-9
2,3,4,6-tetra-O-benzyl-D-galactopyranose

: 4124-31-6
trichloroacetic acid anhydride

: 383905-63-3
2,3,4,6-tetra-O-benzyl-D-galactopyranosyl trichloroacetate

Conditions

Conditions	Yield
With sodium trichloroacetate In dichloromethane for 1.5h; Heating;	99%

: 39672-00-9
2-cyclopentylidene-1,1-diphenylhydrazine

: 4124-31-6
trichloroacetic acid anhydride

: trichloroacetic acid 1-(1-cyclopenten-1-yl)-2,2-diphenylhydrazide

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine In dichloromethane at 0℃;	99%

: 155693-23-5
N-(2,2-dimethylpent-4-enyl)-N-propylamine

: 4124-31-6
trichloroacetic acid anhydride

: 155693-24-6
N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride

Conditions

Conditions	Yield
With pyridine In benzene for 72h;	98%

: 155670-17-0
6--4-chloro-2-(methylthio)pyrimidine

: 4124-31-6
trichloroacetic acid anhydride

: C16H11Cl4N3O2S

Conditions

Conditions	Yield
With triethylamine In dichloromethane	98%

: 489-84-9
7-isopropyl-1,4-dimethyl-azulene

: 4124-31-6
trichloroacetic acid anhydride

: 846-33-3
3-trichloroacetylguaiazulene

Conditions

Conditions	Yield
In dichloromethane	98%
In dichloromethane	76%
In dichloromethane
In dichloromethane at 20℃; for 2h;

: 81243-75-6, 81243-76-7, 91852-38-9
O-(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)-(1->4)-3,6-di-O-acetyl-2-desoxy-2-phthalimido-D-glucopyranose

: 4124-31-6
trichloroacetic acid anhydride

: 3,6-di-O-acetyl-2-deoxy-2-phthalimido-4-O-(2,3,4-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranosyl trichloroacetate

Conditions

Conditions	Yield
With sodium trichloroacetic In dichloromethane Heating;	98%
With sodium trichloroacetate In dichloromethane Heating;	98%

: Acetic acid (3S,4S,5R,6R)-6-acetoxymethyl-4,5-bis-benzyloxy-2-hydroxy-tetrahydro-pyran-3-yl ester

: 4124-31-6
trichloroacetic acid anhydride

: 183885-17-8
2,6-di-O-acetyl-3,4-di-O-benzyl-α-D-mannopyranosyl trichloroacetate

Conditions

Conditions	Yield
With sodium trichloroacetate In dichloromethane for 1h; Heating;	98%
With sodium trichloroacetate In dichloromethane for 1h; Heating; Yield given;

: 5431-33-4
(Z)-(oxiran-2-yl)methyl octadec-9-enoate

: 4124-31-6
trichloroacetic acid anhydride

: 2-O-oleoyl-1,3-bis-O-(trichloroacetyl)glycerol

Conditions

Conditions	Yield
In dichloromethane at -20 - 20℃;	98%

: 6,7-dimethylinden-1-ol

: 4124-31-6
trichloroacetic acid anhydride

: 1263309-94-9
1-(3',3',3'-trichloroacetoxy-6,7-dimethyl)indene

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran for 0.25h; Inert atmosphere;	98%

: 100-46-9
benzylamine

: 4124-31-6
trichloroacetic acid anhydride

: 4257-83-4
benzyl 2,2,2-trichloroacetamide

Conditions

Conditions	Yield
	98%

: 18903-55-4
N-(3-butenyl)n-butylamine

: 4124-31-6
trichloroacetic acid anhydride

: 155693-21-3
N-but-3-enyl-N-butylcarbamoyl chloride

Conditions

Conditions	Yield
With pyridine In benzene for 96h;	97%

: 60519-98-4
N-benzyl-N-(1,3-dimethylbut-2-enyl)amine

: 4124-31-6
trichloroacetic acid anhydride

: 156627-40-6
N-benzyl-N-(1,3-dimethylbut-2-enyl)carbamoyl chloride

Conditions

Conditions	Yield
With pyridine In benzene for 72h;	97%

: 608515-64-6
6-fluoro-3-methylisoquinolin-5-amine

: 4124-31-6
trichloroacetic acid anhydride

: 1221445-04-0
2,2,2-trichloro-N-(6-fluoro-3-methylisoquinolin-5-yl)acetamide

Conditions

Conditions	Yield
With pyridine In acetonitrile at -10℃; for 0.166667h;	97%
With pyridine In acetonitrile at -10 - -5℃; for 0.25h;	87%
With pyridine at -10 - -5℃;	86%
With pyridine at -10 - -5℃;	86%

: 4-methoxyphenyl 2-amino-4-O-benzoyl-3-O-tert-butyldimethylsilyl-2,6-dideoxy-β-D-glucopyranoside

: 4124-31-6
trichloroacetic acid anhydride

: 4-methoxyphenyl 4-O-benzoyl-3-O-tert-butyldimethylsilyl-2,6-dideoxy-2-trichloroacetamido-β-D-glucopyranoside

Conditions

Conditions	Yield
In pyridine at 0℃;	97%

: 57-27-2, 143-70-4, 6912-73-8, 16206-77-2, 27067-73-8, 65165-99-3, 70982-47-7
morphine

: 4124-31-6
trichloroacetic acid anhydride

: C19H18Cl3NO4

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran; water at 0 - 10℃; for 1.5h; Reagent/catalyst; Solvent; Temperature; Industrial scale;	97%

: 5432-46-2, 10034-19-2, 10034-20-5, 34948-62-4, 110253-00-4
1,3,4,6-tetra-O-acetyl-D-glucosamine hydrochloride

: 4124-31-6
trichloroacetic acid anhydride

: 56644-75-8, 10353-00-1
1,3,4,6-tetra-O-acetyl-2-deoxy-2-(2,2,2-trichloroacetamido)-β-D-glucopyranose

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0℃;	97%

: 4538-09-4
N-allyl-N-butylamine

: 4124-31-6
trichloroacetic acid anhydride

: 125012-90-0
N-allyl-N-butylcarbamoyl chloride

Conditions

Conditions	Yield
With pyridine In benzene for 96h;	96%

: 13490-32-9
(Z)-4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carbimidoyl chloride

: 4124-31-6
trichloroacetic acid anhydride

: 2,2,2-trichloro-N-[4-(5-trichloromethyl-[1,2,4]oxadiazol-3-yl)-furazan-3-yl]-acetamide

Conditions

Conditions	Yield
at 120℃; for 5h;	96%

: 919994-53-9
6-chloro-3-methylisoquinolin-5-amine

: 4124-31-6
trichloroacetic acid anhydride

: 2,2,2-trichloro-N-(6-chloro-3-methylisoquinolin-5-yl)acetamide

Conditions

Conditions	Yield
With pyridine In acetonitrile at -10 - -5℃; for 0.333333h;	96%

: 1016726-53-6
3,3,3-trifluoro-N'-hydroxypropanimidamide

: 4124-31-6
trichloroacetic acid anhydride

: 5-(trichloromethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

Conditions

Conditions	Yield
With trichloroacetic acid at 110℃; for 1h; Inert atmosphere;	96%

: 1825-62-3
ethyl trimethylsilyl ether

: 4124-31-6
trichloroacetic acid anhydride

: 25436-07-1
trimethylsilyl trichloroacetate

Conditions

Conditions	Yield
With iron perchlorate hexahydrate at 25℃; for 0.5h;	96%

Trichloroacetic anhydride Specification

The CAS register number of Trichloroacetic anhydride is 4124-31-6. It also can be called as Acetic acid, 2,2,2-trichloro-, 1,1'-anhydride and the IUPAC name about this chemical is (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate. The molecular formula about this chemical is C₄Cl₆O₃ and the molecular weight is 308.76. It belongs to the following product categories which include Carbonyl Compounds; Carboxylic Acid Anhydrides; Organic Building Blocks and so on.

Physical properties about Trichloroacetic anhydride are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 3.39; (3)ACD/LogD (pH 7.4): 3.39; (4)ACD/BCF (pH 5.5): 221.9; (5)ACD/BCF (pH 7.4): 221.9; (6)ACD/KOC (pH 5.5): 1663.38; (7)ACD/KOC (pH 7.4): 1663.38; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.37Å²; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 51.41 cm³; (13)Molar Volume: 163.5 cm³; (14)Polarizability: 20.38x10^-24cm³; (15)Surface Tension: 53.2 dyne/cm; (16)Flash Point: 79.5 °C; (17)Enthalpy of Vaporization: 45.81 kJ/mol; (18)Boiling Point: 221.7 °C at 760 mmHg; (19)Vapour Pressure: 0.106 mmHg at 25°C.

Uses of Trichloroacetic anhydride: it can be used to produce Trichloroacetonylpyridine with 2-methyl-pyridine at ambient temperature. This reaction will need solvent benzene. The yield is about 5%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It can cause severe burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(=O)OC(=O)C(Cl)(Cl)Cl
(2)InChI: InChI=1/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
(3)InChIKey: MEFKFJOEVLUFAY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
(5)Std. InChIKey: MEFKFJOEVLUFAY-UHFFFAOYSA-N

Product Name

TRICHLOROACETIC ANHYDRIDE

Synthetic route

Trichloroacetic anhydride Specification

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