5-Bromovaleryl chloride

C₅H₈BrClOCAS 4509-90-4199.47 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₅H₈BrClO
Molar mass: 199.47 g/mol
Exact mass: 197.9447 Da
Boiling point: 103–105 °C (at 20 Torr)
logP: 2.32Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H319 Causes serious eye irritation74.1% of notifiers
H335 May cause respiratory irritation85.2% of notifiers

Aggregated from 54 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+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number

4509-90-4

SMILES

O=C(Cl)CCCCBr

InChIKey

OKRUMSWHDWKGHA-UHFFFAOYSA-N

InChI

InChI=1S/C5H8BrClO/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

5 names

Pentanoyl chloride, 5-bromo-
Valeryl chloride, 5-bromo-
5-Bromopentanoyl chloride
5-Bromovaleric acid chloride
5-Bromovaleroyl chloride

Work with 5-Bromovaleryl 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

6-Bromohexanoyl chloride22809-37-695 % similar 4-Bromobutanoyl chloride927-58-286 % similar Adipoyl chloride111-50-270 % similar 3-Bromopropanoyl chloride15486-96-168 % similar Suberoyl chloride10027-07-367 % similar Sebacoyl chloride111-19-367 % similar Azelaoyl chloride123-98-867 % similar Glutaryl chloride2873-74-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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