(E)-4-(2-Chloro-6-fluoro-phenyl)-but-3-en-2-one
Properties
- Molecular formula
- C10H8ClFO
- Molar mass
- 198.62 g/mol
- Exact mass
- 198.0248 Da
- logP
- 3.08Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
175136-82-0SMILES
CC(=O)/C=C/C1=C(C=CC=C1Cl)FInChIKey
VZRBDBXFAKDNDJ-AATRIKPKSA-NInChI
InChI=1S/C10H8ClFO/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Chloro-6-fluorobenzylideneacetone
Work with (E)-4-(2-Chloro-6-fluoro-phenyl)-but-3-en-2-one
Similar compounds
trans-2-Chloro-6-fluorocinnamic acid392-22-364 % similar
2-Chloro-6-fluorobenzaldehyde387-45-151 % similar
trans-2-Chloro-6-fluoro-beta-nitrostyrene60610-68-649 % similar
trans-2,6-Difluorocinnamic acid102082-89-348 % similar
2'-Chloro-6'-fluoroacetophenone87327-69-348 % similar
4-(4-Chlorophenyl)-3-buten-2-one3160-40-545 % similar
3-(2,6-Dichlorophenyl)-2-propenoic acid5345-89-145 % similar
4-Phenyl-3-buten-2-one122-57-645 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.