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CAS No.: | 4124-31-6 |
---|---|
Name: | TRICHLOROACETIC ANHYDRIDE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C4Cl6O3 |
Molecular Weight: | 308.76 |
Synonyms: | Aceticacid, trichloro-, anhydride (6CI,7CI,8CI,9CI);Trichloracetic anhydride;Trichloroacetic acid anhydride; |
EINECS: | 223-925-3 |
Density: | 1.888 g/cm3 |
Boiling Point: | 221.7 °C at 760 mmHg |
Flash Point: | 79.5 °C |
Appearance: | colourless liquid |
Hazard Symbols: | C |
Risk Codes: | 22-35 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 43.37000 |
LogP: | 2.79660 |
Conditions | Yield |
---|---|
With thionyl chloride In N,N-dimethyl-formamide at 120℃; for 5h; | 60% |
With phosphorus pentoxide at 210℃; | |
With 1-ethoxyacetylene |
O-acetyl S,S-dipropyl phosphorodithioite
A
mixed anhydride of acetic and trichloroacetic acids
B
dipropyl phosphorochloridodithioite
C
acetic anhydride
D
trichloroacetic acid anhydride
Conditions | Yield |
---|---|
With trifluoroacetyl chloride for 1h; Ambient temperature; | A n/a B 50% C n/a D n/a |
Conditions | Yield |
---|---|
zeitlicher Verlauf bei Siedetemperatur; | |
With potassium chloride |
dichloromethane
ethynyl methyl ether
trichloroacetic acid
trichloroacetic acid anhydride
1-Ethoxyvinyl trichloroacetate
trichloroacetic acid
trichloroacetic acid anhydride
Conditions | Yield |
---|---|
With diethyl ether |
Conditions | Yield |
---|---|
With phosphorus trichloride |
Conditions | Yield |
---|---|
zeitlicher Verlauf bei Siedetemperatur; |
diethyl ether
1-ethoxyacetylene
trichloroacetic acid
A
1-Ethoxyvinyl trichloroacetate
B
ethyl acetate
C
trichloroacetic acid anhydride
trichloroacetic acid anhydride
Conditions | Yield |
---|---|
With phosgene; acetic acid ester | |
With phosgene; oxalic acid ester | |
With sulfuryl dichloride; acetic acid ester | |
With sulfuryl dichloride; oxalic acid ester |
Dimethylsulfonium-trifluoracetyl-methylid
trichloroacetic acid anhydride
Conditions | Yield |
---|---|
In tetrahydrofuran at 24℃; for 4h; | 100% |
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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