3-Chloro-4-fluoroaniline
Properties
- Molecular formula
- C6H5ClFN
- Molar mass
- 145.56 g/mol
- Exact mass
- 145.0095 Da
- Melting point
- 45.5 °C
- Boiling point
- 227.5 °C
- logP
- 2.06Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed55.7% of notifiers
- H302 Harmful if swallowed43% of notifiers
- H311 Toxic in contact with skin60.8% of notifiers
- H318 Causes serious eye damage36.7% of notifiers
- H331 Toxic if inhaled55.7% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure60.8% of notifiers
Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
367-21-5SMILES
Nc1ccc(F)c(Cl)c1InChIKey
YSEMCVGMNUUNRK-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenamine, 3-chloro-4-fluoro-
- Aniline, 3-chloro-4-fluoro-
- 3-Chloro-4-fluorobenzenamine
- 4-Fluoro-3-chloroaniline
- m-Chloro-p-fluoroaniline
- 3-Chloro-4-fluorophenylamine
- NSC 10290
Work with 3-Chloro-4-fluoroaniline
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
3,4-Difluoroaniline3863-11-460 % similar
3,4-Dichloroaniline95-76-160 % similar
2,4-Dichlorofluorobenzene1435-48-956 % similar
1-Chloro-2,5-difluorobenzene2367-91-156 % similar
2-Chloro-p-phenylenediamine615-66-756 % similar
4-Fluorobenzene-1,3-diamine6264-67-156 % similar
2-Chloro-1-fluoro-4-methylbenzene1513-25-354 % similar
3-Chloro-4-fluorophenylhydrazine84282-78-053 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Chloro-4-fluorobenzenamine2106-02-7
3-Chloro-2-fluorobenzenamine2106-04-9
5-Chloro-2-fluoroaniline2106-05-0
2-Chloro-3-fluorobenzenamine21397-08-0
2-Chloro-3-fluoro-5-methylpyridine34552-15-3
2-Chloro-6-fluoroaniline363-51-9
4-Chloro-3-fluorobenzenamine367-22-6
2-Chloro-3-fluoro-6-methylpyridine374633-32-6