2,3-Dichloroaniline
Properties
- Molecular formula
- C6H5Cl2N
- Molar mass
- 162.01 g/mol
- Exact mass
- 160.9799 Da
- Density
- 1.383 g/mL (at 25 °C)
- Melting point
- 24 °C
- Boiling point
- 252 °C
- Flash point
- 112 °C (closed cup)
- logP
- 2.58Crippen 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 inhaled34.9% of notifiers
- H301 Toxic if swallowed98.8% of notifiers
- H311 Toxic in contact with skin98.8% of notifiers
- H315 Causes skin irritation42.2% of notifiers
- H331 Toxic if inhaled95.2% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure95.2% of notifiers
- H400 Very toxic to aquatic life97.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P332+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
608-27-5SMILES
Nc1cccc(Cl)c1ClInChIKey
BRPSAOUFIJSKOT-UHFFFAOYSA-NInChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzenamine, 2,3-dichloro-
- Aniline, 2,3-dichloro-
- 2,3-Dichlorobenzenamine
- 3-Amino-1,2-dichlorobenzene
- 2,3-Dichlorophenylamine
- NSC 60683
Work with 2,3-Dichloroaniline
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
2,3,4-Trichloroaniline634-67-365 % similar
2-Chloroaniline95-51-264 % similar
1,2,3-Trichlorobenzene87-61-660 % similar
o-Chloroaniline hydrochloride137-04-256 % similar
3-Chloro-2-methylaniline87-60-556 % similar
3-Chloro-2-fluorobenzenamine2106-04-954 % similar
2-Chloro-3-fluorobenzenamine21397-08-054 % similar
2-Amino-6-chlorophenol38191-33-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
5-Chloro-2-(chloromethyl)pyridine10177-24-9
2-Chloro-4-(chloromethyl)pyridine101990-73-2
2,4-Dichloro-3-methylpyridine132097-09-7
2,6-Dichloro-4-methylpyridine39621-00-6
2,4-Dichloro-6-methylpyridine42779-56-6
2,4-Dichloroaniline554-00-7
2,4-Dichloro-5-methylpyridine56961-78-5
2,6-Dichloro-3-methylpyridine58584-94-4