2-Chloro-5-fluorobenzenamine
Properties
- Molecular formula
- C6H5ClFN
- Molar mass
- 145.56 g/mol
- Exact mass
- 145.0095 Da
- Melting point
- 26 °C
- Boiling point
- 211 °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 swallowed25% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H311 Toxic in contact with skin87.5% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H331 Toxic if inhaled12.5% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure62.5% of notifiers
Aggregated from 8 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+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
452-83-5SMILES
Nc1cc(F)ccc1ClInChIKey
VWUFOZAFKYOZJB-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzenamine, 2-chloro-5-fluoro-
- Aniline, 2-chloro-5-fluoro-
- 2-Chloro-5-fluoroaniline
- 2-Chloro-5-fluoro-phenylamine
Work with 2-Chloro-5-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
1,2-Dichloro-4-fluorobenzene1435-49-060 % similar
4-Fluoro-1,2-phenylenediamine367-31-760 % similar
1-Chloro-2,4-difluorobenzene1435-44-556 % similar
2,5-Difluoroaniline367-30-656 % similar
4-Chloro-m-phenylenediamine5131-60-256 % similar
2,5-Dichloroaniline95-82-956 % similar
2-Chloro-5-fluorophenol3827-49-454 % similar
2-Bromo-5-fluorobenzenamine1003-99-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.