chempirical

Trichloroethyl alcohol

C2H3Cl3OCAS 115-20-8149.40 g/mol

Open in Covalent MOL file
HOClClCl
AlcoholAlkyl halide

Properties

Molecular formula
C2H3Cl3O
Molar mass
149.40 g/mol
Exact mass
147.9249 Da
Density
1.4712 g/mL (at 25 °C)
Melting point
19 °C
Boiling point
152 °C
logP
1.35Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
115-20-8
SMILES
OCC(Cl)(Cl)Cl
InChIKey
KPWDGTGXUYRARH-UHFFFAOYSA-N
InChI
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • 2,2,2-Trichloroethanol
  • Ethanol, 2,2,2-trichloro-
  • 2,2,2-Trichloroethyl alcohol
  • Trichloroethanol
  • Trichlorethanol
  • (Hydroxymethyl)trichloromethane
  • β,β,β-Trichloroethanol
  • NSC 66407
  • 2,2,2-Trichloroethan-1-ol

Reactions

Work with Trichloroethyl alcohol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentaerythritol115-77-540 % similar 1,1-Cyclopropanedimethanol39590-81-335 % similar 1,1,1,2-Tetrachloroethane630-20-635 % similar Trimethylolethane77-85-035 % similar Neopentyl glycol126-30-733 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-633 % similar 2,2-Difluoropropane-1,3-diol428-63-733 % similar Tribromoethanol75-80-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia