chempirical

3-Chloropropyl chloroformate

C4H6Cl2O2CAS 628-11-5156.99 g/mol

Open in Covalent MOL file
OClOCl
Acyl halideAlkyl halide

Properties

Molecular formula
C4H6Cl2O2
Molar mass
156.99 g/mol
Exact mass
155.9745 Da
Density
1.2946 g/mL (at 25 °C)
Boiling point
177 °C
logP
1.99Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
628-11-5
SMILES
O=C(Cl)OCCCCl
InChIKey
MTXMEFUEBCFWCY-UHFFFAOYSA-N
InChI
InChI=1S/C4H6Cl2O2/c5-2-1-3-8-4(6)7/h1-3H2

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

Names and synonyms

6 names
  • Carbonochloridic acid, 3-chloropropyl ester
  • Formic acid, chloro-, 3-chloropropyl ester
  • (3-Chloropropoxy)carbonyl chloride
  • γ-Chloropropyl chloroformate
  • Chloroformic acid 3-chloropropyl ester
  • 3-Chloropropyl carbonochloridate

Work with 3-Chloropropyl 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

2-Chloroethyl chlorocarbonate627-11-274 % similar Butyl chloroformate592-34-759 % similar Pentyl chloroformate638-41-557 % similar C,C′-(Oxydi-2,1-ethanediyl) dicarbonochloridate106-75-256 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-756 % similar Dodecyl chloroformate24460-74-055 % similar Hexadecyl carbonochloridate26272-90-255 % similar Heptyl carbonochloridate33758-34-855 % similar

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

Same formula

Methyl 2,3-dichloropropanoate3674-09-7

Elsewhere

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