EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

The Trichloroethanol, with the CAS registry number 115-20-8, is also known as Ethanol, 2,2,2-trichloro-. It belongs to the product category of Miscellaneous. Its EINECS registry number is 204-071-0. This chemical's molecular formula is C₂H₃Cl₃O and molecular weight is 149.40. What's more, both its IUPAC name and systematic name are the same which is called 2,2,2-Trichloroethanol. It should be stored in a cool, dry and well-ventilated place. In humans, its pharmacological effects are similar to those of chloral hydrate: it is used as a sedative or a hypnotic.

Physical properties about Trichloroethanol are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.21; (6)ACD/BCF (pH 7.4): 3.21; (7)ACD/KOC (pH 5.5): 80.25; (8)ACD/KOC (pH 7.4): 80.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 27.363 cm³; (15)Molar Volume: 93.257 cm³; (16)Polarizability: 10.847×10^-24 cm³; (17)Surface Tension: 43.047 dyne/cm; (18)Density: 1.602 g/cm³; (19)Flash Point: 45.768 °C; (20)Enthalpy of Vaporization: 45.299 kJ/mol; (21)Boiling Point: 152.066 °C at 760 mmHg; (22)Vapour Pressure: 1.331 mmHg at 25 °C.

Preparation of Trichloroethanol: this chemical can be prepared by trichloroacetic acid ethyl ester. This reaction needs reagent LiBH₄ and solvent diethyl ether at temperature of 25 °C. The reaction time is 0.25 hour. The yield is 80 %.

Uses of Trichloroethanol: (1) it is used as organic synthesis and drug intermediates; (2) it is used to produce other chemicals. For example, it can react with benzoyl chloride to get benzoic acid-(2,2,2-trichloro-ethyl ester). The reaction occurs with reagent NEt₃ and and solvent tetrahydrofuran at temperature of 0-20 °C. The yield is 87 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. It is harmful if swallowed and it has serious damage to eyes. Therefore, you should wear suitable eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)CO
(2) InChI: InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
(3) InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N

The toxicity data is as follows: