2-Propylpentanoyl chloride

C₈H₁₅ClOCAS 2936-08-5162.66 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₈H₁₅ClO
Molar mass: 162.66 g/mol
Exact mass: 162.0811 Da
Boiling point: 70–72 °C (at 11 Torr)
logP: 2.97Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Danger

H290 May be corrosive to metals16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H314 Causes severe skin burns and eye damage83.3% of notifiers
H318 Causes serious eye damage16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, P501

Identifiers

CAS number

2936-08-5

SMILES

CCCC(CCC)C(=O)Cl

InChIKey

PITHYUDHKJKJNQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H15ClO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Pentanoyl chloride, 2-propyl-
Valeryl chloride, 2-propyl-
2-Propylvaleryl chloride
4-(Chloroacetyl)heptane
Dipropylacetyl chloride
Valproic acid chloride
Valproyl chloride
2-n-Propyl-n-valeroyl chloride
2,2-Di-n-propylacetyl chloride
2,2-Dipropylacetyl chloride

Work with 2-Propylpentanoyl 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

Cyclopropanecarbonyl chloride4023-34-167 % similar 2-Methylpentanoyl chloride5238-27-762 % similar Cyclopentanecarbonyl chloride4524-93-061 % similar Cyclobutanecarbonyl chloride5006-22-461 % similar Cyclohexanecarbonyl chloride2719-27-958 % similar 2-Ethylbutyryl chloride2736-40-558 % similar Oxane-4-carbonyl chloride40191-32-054 % similar 2-Bromohexanoyl chloride42768-46-750 % similar

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

Same formula

Octanoyl chloride111-64-8 Vinyl chloride-isobutyl vinyl ether copolymer25154-85-2 2-Ethylhexanoyl chloride760-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook