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| CAS No.: | 7062-87-5 |
|---|---|
| Name: | Vinyl trichloroacetate |
| Molecular Structure: | |
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| Formula: | C4H3Cl3O2 |
| Molecular Weight: | 189.426 |
| Synonyms: | Aceticacid, trichloro-, ethenyl ester (9CI);Acetic acid, trichloro-, vinyl ester(6CI,7CI,8CI);Vinyl trichloroacetate; |
| Density: | 1.738 g/cm3 |
| Boiling Point: | 585.9 ºC at 760 mmHg |
| Flash Point: | 308.2 ºC |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 2.04330 |
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Specification
The Vinyl trichloroacetate, with the cas registry number 7062-87-5, has the systematic name of ethenyl trichloroacetate. And its product belongs to the category of monermer. The molecular formula of the chemical is C4H3Cl3O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 63; (6)ACD/BCF (pH 7.4): 63; (7)ACD/KOC (pH 5.5): 672; (8)ACD/KOC (pH 7.4): 672; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 36.594 cm3; (15)Molar Volume: 127.34 cm3; (16)Polarizability: 14.507×10-24cm3; (17)Surface Tension: 37.656 dyne/cm; (18)Density: 1.488 g/cm3; (19)Flash Point: 46.979 °C; (20)Enthalpy of Vaporization: 38.028 kJ/mol; (21)Boiling Point: 143.158 °C at 760 mmHg; (22)Vapour Pressure: 5.405 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(=O)OC=C
(2)InChI: InChI=1/C4H3Cl3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2
(3)InChIKey: HDSFLVZBTRAEEM-UHFFFAOYAU