chempirical

5-Chlorovaleryl chloride

C5H8Cl2OCAS 1575-61-7155.02 g/mol

Open in Covalent MOL file
OClCl
Acyl halideAlkyl halide

Properties

Molecular formula
C5H8Cl2O
Molar mass
155.02 g/mol
Exact mass
153.9952 Da
Boiling point
56–58 °C (at 2.5 Torr)
logP
2.16Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
1575-61-7
SMILES
O=C(Cl)CCCCCl
InChIKey
SVNNWKWHLOJLOK-UHFFFAOYSA-N
InChI
InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2

Weigh it out

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

Names and synonyms

6 names
  • Pentanoyl chloride, 5-chloro-
  • Valeryl chloride, 5-chloro-
  • 5-Chloropentanoyl chloride
  • 5-Chlorovaleroyl chloride
  • NSC 84182
  • 5-Chlorovaleric acid chloride

Work with 5-Chlorovaleryl chloride

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

4-Chlorobutyryl chloride4635-59-085 % similar Adipoyl chloride111-50-274 % similar Suberoyl chloride10027-07-370 % similar Sebacoyl chloride111-19-370 % similar Azelaoyl chloride123-98-870 % similar 3-Chloropropionyl chloride625-36-567 % similar Glutaryl chloride2873-74-765 % similar Hexanoyl chloride142-61-056 % similar

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

Same formula

1,5-Dichloro-3-pentanone3592-25-4 3-Chloro-2,2-dimethylpropanoyl chloride4300-97-4 3,3-Bis(chloromethyl)oxetane78-71-7

Elsewhere

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