4-Chloro-3-fluorobenzenamine
Properties
- Molecular formula
- C6H5ClFN
- Molar mass
- 145.56 g/mol
- Exact mass
- 145.0095 Da
- Melting point
- 61–62 °C
- Boiling point
- 226 °C
- logP
- 2.06Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed96.1% of notifiers
- H311 Toxic in contact with skin96.1% of notifiers
- H315 Causes skin irritation94.1% of notifiers
- H319 Causes serious eye irritation94.1% of notifiers
- H331 Toxic if inhaled88.2% of notifiers
- H332 Harmful if inhaled11.8% of notifiers
- H335 May cause respiratory irritation84.3% of notifiers
Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
367-22-6SMILES
Nc1ccc(Cl)c(F)c1InChIKey
ACMJJQYSPUPMPN-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenamine, 4-chloro-3-fluoro-
- Aniline, 4-chloro-3-fluoro-
- 4-Chloro-3-fluoroaniline
- 3-Fluoro-4-chloroaniline
- 4-Chloro-3-fluorophenylamine
- 4-Chloro-3-fluorobenzeneamine
- 3-Fluoro-4-chlorobenzenamine
Work with 4-Chloro-3-fluorobenzenamine
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
1-Chloro-2,4-difluorobenzene1435-44-556 % similar
2,5-Dichlorofluorobenzene348-59-456 % similar
4-Chloro-m-phenylenediamine5131-60-256 % similar
1-Chloro-2-fluoro-4-iodobenzene202982-67-052 % similar
4-Chloro-3-fluorophenol348-60-752 % similar
4-Amino-2-fluorophenol399-96-252 % 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
3-Chloro-4-fluoroaniline367-21-5
2-Chloro-3-fluoro-6-methylpyridine374633-32-6