5-Chloro-2-pentanone

C₅H₉ClOCAS 5891-21-4120.58 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₅H₉ClO
Molar mass: 120.58 g/mol
Exact mass: 120.0342 Da
Density: 1.0571 g/mL (at 18 °C)
Boiling point: 71–72 °C (at 20 Torr)
logP: 1.59Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor92.9% of notifiers
H302 Harmful if swallowed92.9% of notifiers
H315 Causes skin irritation78.6% of notifiers
H319 Causes serious eye irritation78.6% of notifiers
H335 May cause respiratory irritation78.6% of notifiers

Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5891-21-4

SMILES

CC(=O)CCCCl

InChIKey

XVRIEWDDMODMGA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

2-Pentanone, 5-chloro-
1-Chloro-4-pentanone
3-Chloropropyl methyl ketone
NSC 60210
NSC 8427

Work with 5-Chloro-2-pentanone

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

6-Chlorohexan-2-one10226-30-986 % similar 4-Chloro-2-butanone6322-49-271 % similar 2,15-Hexadecanedione18650-13-062 % similar Hexane-2,5-dione110-13-455 % similar 2-Hexanone591-78-654 % similar 1,7-Dichloroheptan-4-one40624-07-552 % similar 5-Hydroxy-2-pentanone1071-73-452 % similar 2-Heptanone110-43-052 % 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 Pentanoyl chloride638-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook