chempirical

Isopropyl chloroacetate

C5H9ClO2CAS 105-48-6136.57 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
Boiling point
150.5 °C
logP
1.18Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
105-48-6
SMILES
CC(C)OC(=O)CCl
InChIKey
VODRWDBLLGYRJT-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Acetic acid, 2-chloro-, 1-methylethyl ester
  • Acetic acid, chloro-, isopropyl ester
  • Acetic acid, chloro-, 1-methylethyl ester
  • 1-Methylethyl monochloroacetate
  • Isopropyl 2-chloroacetate
  • NSC 27789
  • Chloroacetic acid isopropyl ester

Work with Isopropyl chloroacetate

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

Diisopropyl malonate13195-64-763 % similar Diisopropyl succinate924-88-963 % similar Isopropyl propionate637-78-558 % similar Diisopropyl adipate6938-94-958 % similar Isopropyl bromoacetate29921-57-156 % similar Isopropyl glycolate623-61-056 % similar Diisopropyl sebacate7491-02-356 % similar Isopropyl butanoate638-11-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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 Butyl chloroformate592-34-7

Elsewhere

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