2-Fluorobenzeneacetyl chloride
Properties
- Molecular formula
- C8H6ClFO
- Molar mass
- 172.58 g/mol
- Exact mass
- 172.0091 Da
- Boiling point
- 203–204 °C
- logP
- 2.13Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
451-81-0SMILES
O=C(Cl)Cc1ccccc1FInChIKey
KUMKNGTWQNSAQW-UHFFFAOYSA-NInChI
InChI=1S/C8H6ClFO/c9-8(11)5-6-3-1-2-4-7(6)10/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzeneacetyl chloride, 2-fluoro-
- Acetyl chloride, (o-fluorophenyl)-
- o-Fluorophenylacetyl chloride
- 2-(2-Fluorophenyl)acetyl chloride
Work with 2-Fluorobenzeneacetyl chloride
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-(2-Fluorophenyl)-2-propanone2836-82-058 % similar
(2-Fluorophenyl)acetic acid451-82-158 % similar
Cyclopropyl 2-fluorobenzyl ketone150322-73-954 % similar
Methyl 2-fluorophenylacetate57486-67-653 % similar
Phenylacetyl chloride103-80-052 % similar
Ethyl 2-fluorophenylacetate584-74-750 % similar
2-Fluorobenzyl chloride345-35-748 % similar
2-(4-Fluorophenyl)acetyl chloride459-04-147 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2
4'-Chloro-3'-fluoroacetophenone151945-84-5
1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-1
1-(4-Chloro-2-fluorophenyl)ethanone175711-83-8
5-Fluoro-2-methylbenzoyl chloride21900-39-0
6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-7
3'-Chloro-4'-fluoroacetophenone2923-66-2
2'-Chloro-5'-fluoroacetophenone2965-16-4