6-Bromohexanoyl chloride

C6H10BrClOCAS 22809-37-6213.50 g/mol

Open in Covalent MOL file
OClBr
Acyl halideAlkyl halide

Properties

Molecular formula
C6H10BrClO
Molar mass
213.50 g/mol
Exact mass
211.9604 Da
Boiling point
95–102 °C (at 1 Torr)
logP
2.71Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number
22809-37-6
SMILES
O=C(Cl)CCCCCBr
InChIKey
HBPVGJGBRWIVSX-UHFFFAOYSA-N
InChI
InChI=1S/C6H10BrClO/c7-5-3-1-2-4-6(8)9/h1-5H2

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Names and synonyms

6 names
  • Hexanoyl chloride, 6-bromo-
  • ε-Bromocaproyl chloride
  • 6-Bromocaproyl chloride
  • 6-Bromocaproic chloride
  • 6-Bromohexanoic chloride
  • ω-Bromohexanoyl chloride

Work with 6-Bromohexanoyl 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

5-Bromovaleryl chloride4509-90-495 % similar 4-Bromobutanoyl chloride927-58-282 % similar Suberoyl chloride10027-07-371 % similar Sebacoyl chloride111-19-371 % similar Azelaoyl chloride123-98-871 % similar Adipoyl chloride111-50-267 % similar 3-Bromopropanoyl chloride15486-96-165 % similar Glutaryl chloride2873-74-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromohexanoyl chloride42768-46-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook