2-Chloroethyl chlorocarbonate

C₃H₄Cl₂O₂CAS 627-11-2142.96 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₃H₄Cl₂O₂
Molar mass: 142.96 g/mol
Exact mass: 141.9588 Da
Density: 1.3847 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 155 °C
logP: 1.60Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed13.2% of notifiers
H314 Causes severe skin burns and eye damage84.9% of notifiers
H315 Causes skin irritation15.1% of notifiers
H319 Causes serious eye irritation15.1% of notifiers
H331 Toxic if inhaled77.4% of notifiers
H335 May cause respiratory irritation13.2% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

627-11-2

SMILES

O=C(Cl)OCCCl

InChIKey

SVDDJQGVOFZBNX-UHFFFAOYSA-N

InChI

InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2

Weigh it out

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

Names and synonyms

8 names

Carbonochloridic acid, 2-chloroethyl ester
Formic acid, chloro-, 2-chloroethyl ester
(2-Chloroethoxy)carbonyl chloride
β-Chloroethyl chloroformate
2-Chloroethyl chloroformate
2-Chloroethyl carbonochloridate
Chloroformic acid 2-chloroethyl ester
Chloroethyl chloroformate

Work with 2-Chloroethyl chlorocarbonate

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

3-Chloropropyl chloroformate628-11-574 % similar Oxydiethylene chloroformate106-75-261 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-761 % similar Chloromethyl chloroformate22128-62-757 % similar Bis(2-chloroethyl) carbonate623-97-257 % similar Propyl chloroformate109-61-556 % similar 2-Methoxyethyl chloroformate628-12-654 % similar Butyl chloroformate592-34-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl dichloroacetate116-54-1 Chloroethyl chloroformate50893-53-3 2,3-Dichloropropionic acid565-64-0 2,2-Dichloropropionic acid75-99-0

Elsewhere

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