2-(Trifluoromethyl)benzoyl chloride
Properties
- Molecular formula
- C8H4ClF3O
- Molar mass
- 208.56 g/mol
- Exact mass
- 207.9903 Da
- Density
- 1.4158 g/mL (at 20 °C)
- Boiling point
- 90 °C
- logP
- 3.08Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H290 May be corrosive to metals70.6% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H317 May cause an allergic skin reaction69.3% of notifiers
- H318 Causes serious eye damage68.6% of notifiers
Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P390, P405, P406, P501
Identifiers
CAS number
312-94-7SMILES
O=C(Cl)c1ccccc1C(F)(F)FInChIKey
MXIUWSYTQJLIKE-UHFFFAOYSA-NInChI
InChI=1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzoyl chloride, 2-(trifluoromethyl)-
- o-Toluoyl chloride, α,α,α-trifluoro-
- α,α,α-Trifluoro-o-toluoyl chloride
- o-(Trifluoromethyl)benzoyl chloride
- NSC 88290
- 2-(Trifluoromethyl)benzene-1-carbonyl chloride
Work with 2-(Trifluoromethyl)benzoyl 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
2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-770 % similar
2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-265 % similar
2,5-Bis(trifluoromethyl)benzoyl chloride393-82-862 % similar
2,4-Bis(trifluoromethyl)benzoyl chloride53130-43-162 % similar
4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-460 % similar
5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-660 % similar
2'-(Trifluoromethyl)acetophenone17408-14-959 % similar
Phthaloyl chloride88-95-959 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-(Trifluoromethyl)benzoyl chloride2251-65-2
4-Chloro-2-(trifluoromethyl)benzaldehyde320-43-4
1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-9
4-(Trifluoromethyl)benzoyl chloride329-15-7
4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-6
2-Chloro-4-(trifluoromethyl)benzaldehyde82096-91-1
2-Chloro-5-(trifluoromethyl)benzaldehyde82386-89-8
5-Chloro-2-(trifluoromethyl)benzaldehyde90381-07-0