chempirical

Isobutyl chloroformate

C5H9ClO2CAS 543-27-1136.57 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
Boiling point
128.8 °C
logP
2.02Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
543-27-1
SMILES
CC(C)COC(=O)Cl
InChIKey
YOETUEMZNOLGDB-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Carbonochloridic acid, 2-methylpropyl ester
  • 2-Methylpropan-1-yl chloroformate
  • Formic acid, chloro-, isobutyl ester
  • Isobutyl chlorocarbonate
  • 2-Methylpropyl chloroformate
  • 2-Methylpropyl carbonochloridate
  • Chloroformic acid isobutyl ester
  • Chlorocarbonic acid isobutyl ester
  • Isobutoxycarbonyl chloride
  • Isobutyloxycarbonyl chloride
  • Isobutyl chloridocarbonate
  • IBCF
  • NSC 8429
  • Isobutyl carbonochloridate

Work with Isobutyl 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

Diisobutyl carbonate539-92-458 % similar Propyl chloroformate109-61-554 % similar Isobutyl acetate110-19-054 % similar Ethyl chloroformate541-41-352 % similar Isobutyl isovalerate589-59-352 % similar Isobutyl isobutyrate97-85-852 % similar Isobutyl (R)-2-hydroxypropionate61597-96-452 % similar Isobutyl L-(-)-2-chloropropionate83261-15-852 % 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 Butyl chloroformate592-34-7

Elsewhere

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