3,4-Dichloroaniline
Properties
- Molecular formula
- C6H5Cl2N
- Molar mass
- 162.01 g/mol
- Exact mass
- 160.9799 Da
- Density
- 1.33 g/mL
- Melting point
- 71–72 °C
- Boiling point
- 272 °C
- Flash point
- 166 °C (open cup)
- Water solubility
- < 1 g/L (21.5 °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 swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H331 Toxic if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 612-202-00-1), via PubChem.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
95-76-1SMILES
Nc1ccc(Cl)c(Cl)c1InChIKey
SDYWXFYBZPNOFX-UHFFFAOYSA-NInChI
InChI=1S/C6H5Cl2N/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 and density.
Names and synonyms
13 names · show all
- Benzenamine, 3,4-dichloro-
- Aniline, 3,4-dichloro-
- 3,4-Dichlorobenzenamine
- DCA (amine)
- 3,4-Dichloraniline
- 3,4-DCA
- 4,5-Dichloroaniline
- m,p-Dichloroaniline
- DCA
- 4-Amino-1,2-dichlorobenzene
- LY 004892
- 3,4-Dichlorophenylamine
- NSC 247
Work with 3,4-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
4-Chloro-m-phenylenediamine5131-60-265 % similar
2-Chloro-p-phenylenediamine615-66-765 % similar
3-Chloro-4-iodobenzenamine135050-44-160 % similar
4-Bromo-3-chloroaniline21402-26-660 % similar
3-Chloro-4-fluoroaniline367-21-560 % similar
4-Chloro-3-fluorobenzenamine367-22-660 % similar
4-Amino-2-chlorophenol3964-52-160 % similar
5-Amino-2-chlorophenol6358-06-160 % 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