Butyl chloroformate

C₅H₉ClO₂CAS 592-34-7136.57 g/mol

Open in Covalent MOL file

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
logP: 2.16Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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 3-Chloro-2,2-dimethylpropanoic acid13511-38-1 1-Methylpropyl carbonochloridate17462-58-7 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Ethyl 2-chloropropionate535-13-7 Isobutyl chloroformate543-27-1

Elsewhere

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