Basic information
- Name:
Acetic acid,2,2,2-trichloro-, 1,1'-anhydride
- Superlist Name:
- Trichloroacetic anhydride
- CAS No.:
4124-31-6
- 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 Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 3265 8/PG 2
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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%.
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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