2,4,5-Trichloroaniline
Properties
- Molecular formula
- C6H4Cl3N
- Molar mass
- 196.46 g/mol
- Exact mass
- 194.9409 Da
- Melting point
- 96.5 °C
- Boiling point
- 270 °C
- logP
- 3.23Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed99.5% of notifiers
- H311 Toxic in contact with skin99.5% of notifiers
- H331 Toxic if inhaled99.5% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure99% of notifiers
- H400 Very toxic to aquatic life96% of notifiers
- H410 Very toxic to aquatic life with long lasting effects99% of notifiers
Aggregated from 199 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
636-30-6SMILES
Nc1cc(Cl)c(Cl)cc1ClInChIKey
GUMCAKKKNKYFEB-UHFFFAOYSA-NInChI
InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenamine, 2,4,5-trichloro-
- Aniline, 2,4,5-trichloro-
- 2,4,5-Trichlorobenzenamine
- 2,4,5-Trichloraniline
- NSC 64139
- 2,4,5-Trichloro-phenylamine
- Benzenamine, 2,4,5-trichloro-3-fluoro-
Work with 2,4,5-Trichloroaniline
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-Dichloro-1,4-benzenediamine20103-09-788 % similar
4,5-Dichloro-1,2-phenylenediamine5348-42-576 % similar
2,2′,5,5′-Tetrachlorobenzidine15721-02-570 % similar
2,4-Dichloro-5-fluoroaniline348-64-161 % similar
5-Amino-2,4-dichlorophenol39489-79-761 % similar
4-Amino-2,5-dichlorophenol50392-39-761 % similar
2-Chloro-5-methyl-1,4-benzenediamine5307-03-961 % similar
2-Chloro-4,5-difluoroaniline2613-32-357 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.