Propyl chloroformate

C4H7ClO2CAS 109-61-5122.55 g/mol

Open in Covalent MOL file
OOCl
Acyl halide

Properties

Molecular formula
C4H7ClO2
Molar mass
122.55 g/mol
Exact mass
122.0135 Da
Density
1.091 g/mL (at 20 °C)
Boiling point
112.4 °C
Flash point
26 °C (closed cup)
Water solubility
insoluble
logP
1.77Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

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

Harmonised EU classification (CLP Annex VI, index 607-142-00-8), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
109-61-5
SMILES
CCCOC(=O)Cl
InChIKey
QQKDTTWZXHEGAQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Carbonochloridic acid, propyl ester
  • Formic acid, chloro-, propyl ester
  • Propyl chlorocarbonate
  • n-Propyl chloroformate
  • Propyl carbonochloridate
  • Chloroformic acid propyl ester
  • Chloroformic acid n-propyl ester

Work with Propyl 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

Butyl chloroformate592-34-775 % similar Pentyl chloroformate638-41-572 % similar Dodecyl chloroformate24460-74-069 % similar Hexadecyl carbonochloridate26272-90-269 % similar Heptyl carbonochloridate33758-34-869 % similar Hexyl chloroformate6092-54-269 % similar Oxydiethylene chloroformate106-75-258 % similar C,C′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] dicarbonochloridate17134-17-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl chloroacetate105-39-5 Isopropyl chloroformate108-23-6 2-Ethoxyacetyl chloride14077-58-8 Methyl 2-chloropropionate17639-93-9 2-(Chloromethyl)-1,3-dioxolane2568-30-1 (S)-2-Chloro-N-butyric acid32653-32-0 2-Chlorobutanoic acid4170-24-5 4-Chlorobutanoic acid627-00-9

Elsewhere

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