1,1-Difluoroacetylacetone
Properties
- Molecular formula
- C5H6F2O2
- Molar mass
- 136.10 g/mol
- Exact mass
- 136.0336 Da
- logP
- 0.80Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H314 Causes severe skin burns and eye damage33.3% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
41739-23-5SMILES
CC(=O)CC(=O)C(F)FInChIKey
XUGVULWHXORSOM-UHFFFAOYSA-NInChI
InChI=1S/C5H6F2O2/c1-3(8)2-4(9)5(6)7/h5H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1,1-Difluoropentane-2,4-dione
Work with 1,1-Difluoroacetylacetone
Similar compounds
Acetylacetone123-54-657 % similar
4,4-Difluoro-3-oxobutanoic acid ethyl ester352-24-947 % similar
Acetoacetamide5977-14-041 % similar
1,1,1-Trifluoroacetylacetone367-57-740 % similar
6-Methyl-2,4-heptanedione3002-23-139 % similar
Fluoroacetone430-51-338 % similar
1,1-Difluoro-2-propanone431-05-038 % similar
2,4-Hexanedione3002-24-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.