2,4-Dichloroaniline
Properties
- Molecular formula
- C6H5Cl2N
- Molar mass
- 162.01 g/mol
- Exact mass
- 160.9799 Da
- Density
- 1.567 g/mL (at 20 °C)
- Melting point
- 63–64 °C
- Boiling point
- 245 °C
- pKa
- 2 (conjugate acid)
- Flash point
- 115 °C
- Water solubility
- < 1 g/L (22.8 °C)
- logP
- 2.58Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed96.4% of notifiers
- H311 Toxic in contact with skin98.2% of notifiers
- H331 Toxic if inhaled98.2% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure94.5% of notifiers
- H400 Very toxic to aquatic life85.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects94.5% of notifiers
Aggregated from 55 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, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
554-00-7SMILES
Nc1ccc(Cl)cc1ClInChIKey
KQCMTOWTPBNWDB-UHFFFAOYSA-NInChI
InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzenamine, 2,4-dichloro-
- Aniline, 2,4-dichloro-
- 2,4-Dichlorobenzenamine
- o,p-Dichloroaniline
- 2,4-Dichlorophenylamine
- NSC 8756
- 4-Chloro-2-chloroaniline
Work with 2,4-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
2,5-Dichloroaniline95-82-967 % similar
4-Chloro-1,2-phenylenediamine95-83-065 % similar
3,3′-Dichlorobenzidine91-94-163 % similar
2-Chloro-p-phenylenediamine615-66-760 % similar
2-Chloro-4-methylaniline615-65-658 % similar
4-Chloro-o-toluidine95-69-258 % similar
1,2,4-Trichlorobenzene120-82-157 % similar
4,4′-Methylenebis[2-chloroaniline]101-14-456 % 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-Dichloro-5-methylpyridine56961-78-5
2,6-Dichloro-3-methylpyridine58584-94-4
2,5-Dichloro-3-methylpyridine59782-88-6