Ethyl 2-chloro-4,4,4-trifluoroacetoacetate
Properties
- Molecular formula
- C6H6ClF3O3
- Molar mass
- 218.56 g/mol
- Exact mass
- 217.9958 Da
- logP
- 1.29Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H227 Combustible liquid25% of notifiers
- H314 Causes severe skin burns and eye damage87.5% of notifiers
- H315 Causes skin irritation12.5% of notifiers
- H318 Causes serious eye damage12.5% of notifiers
- H319 Causes serious eye irritation12.5% of notifiers
- H335 May cause respiratory irritation37.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
363-58-6SMILES
CCOC(=O)C(C(=O)C(F)(F)F)ClInChIKey
YVWUNJVPOCYLIM-UHFFFAOYSA-NInChI
InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
Work with Ethyl 2-chloro-4,4,4-trifluoroacetoacetate
Similar compounds
1,3-Diethyl 2-chloropropanedioate14064-10-967 % similar
Ethyl 2-methyl-4,4,4-trifluoroacetoacetate344-00-363 % similar
Ethyl 2-chloroacetoacetate609-15-457 % similar
Diethyl 2-chloro-3-oxobutanedioate34034-87-254 % similar
Ethyl chlorofluoroacetate401-56-953 % similar
Ethyl 2-chloro-3-oxopropanoate33142-21-153 % similar
Ethyl 3,3-difluorocyclobutane-1-carboxylate681128-38-149 % similar
Ethyl 2-chloropropionate535-13-749 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.