2-Chloroaniline
Properties
- Molecular formula
- C6H6ClN
- Molar mass
- 127.57 g/mol
- Exact mass
- 127.0189 Da
- Density
- 1.2114 g/mL (at 22 °C)
- Melting point
- −14 °C
- Boiling point
- 208.84 °C
- pKa
- 2.661 (conjugate acid, 25 °C)
- Flash point
- 103 °C (closed cup)
- Water solubility
- 8.17 g/L (25 °C)
- logP
- 1.92Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled78.9% of notifiers
- H301 Toxic if swallowed98% of notifiers
- H311 Toxic in contact with skin99% of notifiers
- H319 Causes serious eye irritation81.4% of notifiers
- H331 Toxic if inhaled97.1% of notifiers
- H341 Suspected of causing genetic defects62.3% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure93.6% of notifiers
- H400 Very toxic to aquatic life93.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects99.5% of notifiers
Aggregated from 204 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-51-2SMILES
Nc1ccccc1ClInChIKey
AKCRQHGQIJBRMN-UHFFFAOYSA-NInChI
InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzenamine, 2-chloro-
- Aniline, o-chloro-
- 2-Chlorobenzenamine
- o-Chloroaniline
- Fast yellow GC base
- 1-Amino-2-chlorobenzene
- 2-Chlorophenylamine
- 2-Amino-1-chlorobenzene
- o-Aminochlorobenzene
- NSC 6183
Work with 2-Chloroaniline
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2,3-Dichloroaniline608-27-564 % similar
3-Chloro-2-methylaniline87-60-561 % similar
3-Chloro-2-fluorobenzenamine2106-04-958 % similar
2-Amino-6-chlorophenol38191-33-258 % similar
2-Chloro-4-methylaniline615-65-658 % similar
3-Chloro-2-iodoaniline70237-25-158 % similar
2-Bromo-3-chloroaniline96558-73-558 % similar
2-Amino-6-chlorobenzonitrile6575-11-758 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.