Pentanoyl chloride

C₅H₉ClOCAS 638-29-9120.58 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₅H₉ClO
Molar mass: 120.58 g/mol
Exact mass: 120.0342 Da
Melting point: −110 °C
Boiling point: 109 °C
logP: 1.94Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H290 May be corrosive to metals71.9% of notifiers
H314 Causes severe skin burns and eye damage99.4% of notifiers
H318 Causes serious eye damage71.9% of notifiers
H331 Toxic if inhaled96.2% of notifiers
H412 Harmful to aquatic life with long lasting effects71.9% of notifiers

Aggregated from 160 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501

Identifiers

CAS number

638-29-9

SMILES

CCCCC(=O)Cl

InChIKey

XGISHOFUAFNYQF-UHFFFAOYSA-N

InChI

InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names

Valeryl chloride
Valeroyl chloride
n-Pentanoyl chloride
Pentanoic acid chloride
n-Butanecarbonyl chloride
n-Valeryl chloride

Work with Pentanoyl 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

Hexanoyl chloride142-61-086 % similar Octanoyl chloride111-64-882 % similar Decanoyl chloride112-13-082 % similar Lauroyl chloride112-16-382 % similar Tetradecanoyl chloride112-64-182 % similar Palmitoyl chloride112-67-482 % similar Stearoyl chloride112-76-582 % similar Undecanoyl chloride17746-05-382 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isovaleryl chloride108-12-3 4-Chlorotetrahydro-2H-pyran1768-64-5 2-Chloromethyl tetrahydrofuran3003-84-7 Pivaloyl chloride3282-30-2 5-Chloro-2-pentanone5891-21-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia