2-Methylpentanoyl chloride
Properties
- Molecular formula
- C6H11ClO
- Molar mass
- 134.60 g/mol
- Exact mass
- 134.0498 Da
- Boiling point
- 137–139 °C
- logP
- 2.19Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
5238-27-7SMILES
CCCC(C)C(=O)ClInChIKey
MFIQXAVMTLKUJR-UHFFFAOYSA-NInChI
InChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Pentanoyl chloride, 2-methyl-
- Valeryl chloride, 2-methyl-
- 2-Methylvaleryl chloride
- α-Methylpentanoyl chloride
- α-Methylvaleryl chloride
- 2-Methyl pentanoic acid chloride
Work with 2-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
2-Propylpentanoyl chloride2936-08-562 % similar
2-Methylvaleric acid97-61-052 % similar
Methyl 2-methylpentanoate2177-77-748 % similar
Manzanate39255-32-847 % similar
2-Bromohexanoyl chloride42768-46-747 % similar
2-Ethylhexanoyl chloride760-67-847 % similar
Cyclopropanecarbonyl chloride4023-34-142 % similar
Isobutyryl chloride79-30-142 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.