Butyl chloroformate

C5H9ClO2CAS 592-34-7136.57 g/mol

Open in Covalent MOL file
OOCl
Acyl halide

Properties

Molecular formula
C5H9ClO2
Molar mass
136.57 g/mol
Exact mass
136.0291 Da
Density
1.074 g/mL (at 25 °C)
Boiling point
142 °C
Flash point
30 °C (closed cup)
logP
2.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

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

Harmonised EU classification (CLP Annex VI, index 607-138-00-6), 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
592-34-7
SMILES
CCCCOC(=O)Cl
InChIKey
NRDQFWXVTPZZAZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Carbonochloridic acid, butyl ester
  • Formic acid, chloro-, butyl ester
  • Chloroformic acid butyl ester
  • Butyl chlorocarbonate
  • Butoxycarbonyl chloride
  • n-Butyl chloroformate
  • NSC 8428
  • Butan-1-yl chloroformate
  • Chloroformic acid n-butyl ester
  • Butyl carbonochloridate

Work with Butyl 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

Pentyl chloroformate638-41-588 % similar Dodecyl chloroformate24460-74-084 % similar Hexadecyl carbonochloridate26272-90-284 % similar Heptyl carbonochloridate33758-34-884 % similar Hexyl chloroformate6092-54-284 % similar Propyl chloroformate109-61-575 % similar 3-Chloropropyl chloroformate628-11-559 % similar Dibutyl oxalate2050-60-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropyl chloroacetate105-48-6 5-Chloropentanoic acid1119-46-6 Beta-Chloropivalic acid13511-38-1 1-Methylpropyl carbonochloridate17462-58-7 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Chloromethyl butanoate33657-49-7 Ethyl 2-chloropropionate535-13-7

Elsewhere

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