2-Fluorobenzoyl chloride
Properties
- Molecular formula
- C7H4ClFO
- Molar mass
- 158.56 g/mol
- Exact mass
- 157.9935 Da
- Density
- 1.304 g/mL (at 20 °C)
- Melting point
- 4 °C
- Boiling point
- 204 °C
- Flash point
- 82.2 °C
- logP
- 2.20Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H290 May be corrosive to metals66.9% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage66.9% of notifiers
- H335 May cause respiratory irritation94.3% of notifiers
Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
393-52-2SMILES
O=C(Cl)c1ccccc1FInChIKey
RAAGZOYMEQDCTD-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzoyl chloride, 2-fluoro-
- Benzoyl chloride, o-fluoro-
- o-Fluorobenzoyl chloride
- NSC 88304
- 2-Fluorobenzenecarbonyl chloride
Work with 2-Fluorobenzoyl 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
2,3-Difluorobenzoyl chloride18355-73-269 % similar
Phthaloyl chloride88-95-967 % similar
2,6-Difluorobenzoyl chloride18063-02-061 % similar
2,5-Difluorobenzoyl chloride35730-09-758 % similar
2,4-Difluorobenzoyl chloride72482-64-558 % similar
5-Chloro-2-fluorobenzoyl chloride394-29-656 % similar
4-Chloro-2-fluorobenzoyl chloride394-39-856 % similar
2-Chlorobenzoyl chloride609-65-455 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-Fluorobenzoyl chloride1711-07-5
3-Chloro-4-fluorobenzaldehyde34328-61-5
2-Chloro-6-fluorobenzaldehyde387-45-1
4-Fluorobenzoyl chloride403-43-0
4-Chloro-3-fluorobenzaldehyde5527-95-7
4-Chloro-2-fluorobenzaldehyde61072-56-8
2-Chloro-5-fluorobenzaldehyde84194-30-9
2-Chloro-4-fluorobenzaldehyde84194-36-5