chempirical

1-Methylpropyl carbonochloridate

C5H9ClO2CAS 17462-58-7136.57 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
Boiling point
126 °C
logP
2.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
17462-58-7
SMILES
CCC(C)OC(=O)Cl
InChIKey
YSMHTFWPDRJCMN-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO2/c1-3-4(2)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

5 names
  • Carbonochloridic acid, 1-methylpropyl ester
  • Formic acid, chloro-, sec-butyl ester
  • sec-Butyl chloroformate
  • Chloroformic acid sec-butyl ester
  • But-2-yl chloroformate

Work with 1-Methylpropyl carbonochloridate

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

sec-Butyl acetate105-46-455 % similar Di-sec-butyl peroxydicarbonate19910-65-755 % similar Isopropyl chloroformate108-23-652 % similar Chloroethyl chloroformate50893-53-348 % similar Cyclopentyl chloroformate50715-28-143 % similar Cyclohexyl carbonochloridate13248-54-942 % similar 2-Ethylhexyl chloroformate24468-13-142 % similar Ethyl chloroformate541-41-341 % 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 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Ethyl 2-chloropropionate535-13-7 Isobutyl chloroformate543-27-1 Butyl chloroformate592-34-7

Elsewhere

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