4-Methylpentanoyl chloride

C₆H₁₁ClOCAS 38136-29-7134.60 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₆H₁₁ClO
Molar mass: 134.60 g/mol
Exact mass: 134.0498 Da
Boiling point: 141–142 °C
logP: 2.19Crippen 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 metals96.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage96.3% of notifiers

Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

38136-29-7

SMILES

CC(C)CCC(=O)Cl

InChIKey

SVWCVXFHTHCJJB-UHFFFAOYSA-N

InChI

InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Pentanoyl chloride, 4-methyl-
Isocaproyl chloride
4-Methylvaleryl chloride
Isohexanoyl chloride
4-Methylvaleroyl chloride
γ-Methylvaleryl chloride
4-Methylvaleric acid chloride
γ-Methylvaleroyl chloride

Work with 4-Methylpentanoyl 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

Isovaleryl chloride108-12-358 % similar Adipoyl chloride111-50-255 % similar Glutaryl chloride2873-74-755 % similar Cyclopentanepropanoyl chloride104-97-254 % similar Succinyl chloride543-20-452 % similar Suberoyl chloride10027-07-352 % similar Sebacoyl chloride111-19-352 % similar Azelaoyl chloride123-98-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chlorohexan-2-one10226-30-9 1-Chloropinacolone13547-70-1 Hexanoyl chloride142-61-0 2-Chlorocyclohexanol1561-86-0 2-(Chloromethyl)tetrahydropyran18420-41-2 2-Ethylbutyryl chloride2736-40-5 2-Methylpentanoyl chloride5238-27-7 2,2-Dimethylbutanoyl chloride5856-77-9

Elsewhere

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