3-Chloro-2,4-pentanedione
Properties
- Molecular formula
- C5H7ClO2
- Molar mass
- 134.56 g/mol
- Exact mass
- 134.0135 Da
- Melting point
- 41–44.5 °C
- Boiling point
- 152 °C (at 708 Torr)
- logP
- 0.77Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor97.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1694-29-7SMILES
CC(=O)C(Cl)C(C)=OInChIKey
VLRGXXKFHVJQOL-UHFFFAOYSA-NInChI
InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2,4-Pentanedione, 3-chloro-
- 3-Chloroacetylacetone
- 1-Acetyl-1-chloroacetone
- 3-Chloro-2,4-dioxopentane
- α-Chloroacetylacetone
- 3-Chloro-2,4-pentadione
- 3-Chloropentan-2,4-dione
Work with 3-Chloro-2,4-pentanedione
Similar compounds
Methyl 2-chloroacetoacetate4755-81-158 % similar
1,1-Dichloroacetone513-88-258 % similar
3-Chloro-2-butanone4091-39-852 % similar
Ethyl 2-chloroacetoacetate609-15-452 % similar
Methyl isopropyl ketone563-80-445 % similar
3-Methyl-2,4-pentanedione815-57-645 % similar
1,1-Difluoro-2-propanone431-05-043 % similar
Cyclopropyl methyl ketone765-43-543 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.