4-Chlorobutyryl chloride

C4H6Cl2OCAS 4635-59-0140.99 g/mol

Open in Covalent MOL file
OClCl
Acyl halideAlkyl halide

Properties

Molecular formula
C4H6Cl2O
Molar mass
140.99 g/mol
Exact mass
139.9796 Da
Density
1.2799 g/mL (at 20 °C)
Boiling point
173.5 °C
logP
1.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 161 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number
4635-59-0
SMILES
O=C(Cl)CCCCl
InChIKey
CDIIZULDSLKBKV-UHFFFAOYSA-N
InChI
InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2

Weigh it out

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

Names and synonyms

11 names
  • Butanoyl chloride, 4-chloro-
  • Butyryl chloride, 4-chloro-
  • 4-Chlorobutanoyl chloride
  • γ-Chlorobutyryl chloride
  • 4-Chlorobutyroyl chloride
  • 4-Chlorobutyric acid chloride
  • γ-Chlorobutyroyl chloride
  • 4-Chlorobutanoic acid chloride
  • ω-Chlorobutanoyl chloride
  • ω-Chlorobutyryl chloride
  • 7-Cyanoheptyl 4-chlorobutanoate

Work with 4-Chlorobutyryl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chlorovaleryl chloride1575-61-785 % similar 3-Chloropropionyl chloride625-36-570 % similar Adipoyl chloride111-50-268 % similar Glutaryl chloride2873-74-768 % similar Suberoyl chloride10027-07-365 % similar Sebacoyl chloride111-19-365 % similar Azelaoyl chloride123-98-865 % similar Succinyl chloride543-20-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorotetrahydrofuran3511-19-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook