chempirical

Ethyl chloroformate

C3H5ClO2CAS 541-41-3108.52 g/mol

Open in Covalent MOL file
OOCl
Acyl halide

Properties

Molecular formula
C3H5ClO2
Molar mass
108.52 g/mol
Exact mass
107.9978 Da
Density
1.1403 g/mL (at 20 °C)
Melting point
−80.6 °C
Boiling point
95 °C
Flash point
16 °C (closed cup)
logP
1.38Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)

Harmonised EU classification (CLP Annex VI, index 607-020-00-4), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
541-41-3
SMILES
CCOC(=O)Cl
InChIKey
RIFGWPKJUGCATF-UHFFFAOYSA-N
InChI
InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Carbonochloridic acid, ethyl ester
  • Formic acid, chloro-, ethyl ester
  • Chloroformic acid ethyl ester
  • Ethyl chlorocarbonate
  • Chlorocarbonic acid ethyl ester
  • Ethoxycarbonyl chloride
  • Cathyl chloride
  • Ethyl carbonochloridate
  • Ethyl chloridocarbonate
  • Chloro ethyl formate

Work with Ethyl chloroformate

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

Propyl chloroformate109-61-558 % similar Butyl chloroformate592-34-754 % similar Chloromethyl chloroformate22128-62-752 % similar Isobutyl chloroformate543-27-152 % similar Pentyl chloroformate638-41-552 % similar Diethyl carbonate105-58-850 % similar Oxydiethylene chloroformate106-75-250 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-750 % similar

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

Same formula

3-Chloropropionic acid107-94-8 (S)-(-)-2-Chloropropionic acid29617-66-1 Methoxyacetyl chloride38870-89-2 2-Chloropropionic acid598-78-7 (R)-(+)-2-Chloropropionic acid7474-05-7 Methyl chloroacetate96-34-4

Elsewhere

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