2,2,2-Trichloroethoxycarbonyl chloride

C₃H₂Cl₄O₂CAS 17341-93-4211.85 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₃H₂Cl₄O₂
Molar mass: 211.85 g/mol
Exact mass: 209.8809 Da
Boiling point: 52–53 °C (at NaN Torr)
logP: 2.73Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed17% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H330 Fatal if inhaled15.1% of notifiers
H331 Toxic if inhaled83% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

17341-93-4

SMILES

O=C(Cl)OCC(Cl)(Cl)Cl

InChIKey

LJCZNYWLQZZIOS-UHFFFAOYSA-N

InChI

InChI=1S/C3H2Cl4O2/c4-2(8)9-1-3(5,6)7/h1H2

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Names and synonyms

11 names

Carbonochloridic acid, 2,2,2-trichloroethyl ester
Formic acid, chloro-, 2,2,2-trichloroethyl ester
Ethanol, 2,2,2-trichloro-, chloroformate
2,2,2-Trichloroethyl chloroformate
β,β,β-Trichloroethyl chloroformate
β,β,β-Trichloroethoxycarbonyl chloride
(Trichloroethoxy)chloroformate
NSC 152038
Chloroformic acid 2,2,2-trichloroethyl ester
Troc-cl
2,2,2-Trichloroethyl carbonochloridate

Work with 2,2,2-Trichloroethoxycarbonyl chloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chloromethyl chloroformate22128-62-748 % similar Oxydiethylene chloroformate106-75-246 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-746 % similar Ethyl chloroformate541-41-346 % similar 2-Chloroethyl chlorocarbonate627-11-244 % similar Propyl chloroformate109-61-543 % similar Isobutyl chloroformate543-27-143 % similar N-(2,2,2-Trichloroethoxycarbonyloxy)succinimide66065-85-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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