chempirical

Chloromethyl butanoate

C5H9ClO2CAS 33657-49-7136.57 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

Molecular formula
C5H9ClO2
Molar mass
136.57 g/mol
Exact mass
136.0291 Da
logP
1.53Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
33657-49-7
SMILES
CCCC(=O)OCCl
InChIKey
BDPZFQLKFUONAG-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO2/c1-2-3-5(7)8-4-6/h2-4H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Chloromethyl butyrate

Work with Chloromethyl butanoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl butyrate105-54-462 % similar Propyl butyrate105-66-862 % similar Butyl butyrate109-21-757 % similar 1,1′-(2-Butene-1,4-diyl) dibutanoate1572-84-557 % similar Butyric anhydride106-31-056 % similar Isobutyl butyrate539-90-255 % similar Pentyl butyrate540-18-155 % similar Octyl butyrate110-39-453 % 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 Ethyl 2-chloropropionate535-13-7 Isobutyl chloroformate543-27-1

Elsewhere

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