Isovaleryl chloride
Properties
- Molecular formula
- C5H9ClO
- Molar mass
- 120.58 g/mol
- Exact mass
- 120.0342 Da
- Boiling point
- 114 °C
- logP
- 1.80Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H225 Highly Flammable liquid and vapor43.6% of notifiers
- H226 Flammable liquid and vapor27.1% of notifiers
- H290 May be corrosive to metals39.5% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage53% of notifiers
- H331 Toxic if inhaled54.1% of notifiers
- H335 May cause respiratory irritation38.7% of notifiers
Aggregated from 266 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, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501
Identifiers
CAS number
108-12-3SMILES
CC(C)CC(=O)ClInChIKey
ISULZYQDGYXDFW-UHFFFAOYSA-NInChI
InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Butanoyl chloride, 3-methyl-
- 3-Methylbutanoyl chloride
- Isovaleric chloride
- Isovaleroyl chloride
- Isopentanoyl chloride
- Isovaleric acid chloride
- 3-Methylbutyryl chloride
Work with Isovaleryl 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
4-Methylpentanoyl chloride38136-29-758 % similar
Isobutyl ketone108-83-850 % similar
3,5,5-Trimethylhexanoyl chloride36727-29-450 % similar
Methyl isobutyl ketone108-10-146 % similar
2,8-Dimethylnonane-4,6-dione7307-08-646 % similar
Isovaleric anhydride1468-39-944 % similar
3-Methylbutanoic acid503-74-244 % similar
Propionyl chloride79-03-843 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.