3,4,5-Trichloroaniline

C₆H₄Cl₃NCAS 634-91-3196.46 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄Cl₃N
Molar mass: 196.46 g/mol
Exact mass: 194.9409 Da
Melting point: 99 °C
logP: 3.23Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.8% of notifiers
H311 Toxic in contact with skin97.8% of notifiers
H331 Toxic if inhaled97.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure97.8% of notifiers
H400 Very toxic to aquatic life95.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.8% of notifiers

Aggregated from 45 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

634-91-3

SMILES

Nc1cc(Cl)c(Cl)c(Cl)c1

InChIKey

XOGYQVITULCUGU-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzenamine, 3,4,5-trichloro-
Aniline, 3,4,5-trichloro-
3,4,5-Trichlorobenzenamine
NSC 115260

Work with 3,4,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichloro-1,4-benzenediamine609-20-162 % similar 3,5-Dichloro-4-fluorobenzenamine2729-34-257 % similar 4-Amino-2,6-dichlorophenol5930-28-957 % similar 2,3,5,6-Tetrachloroaniline3481-20-755 % similar 1,2,3,5-Tetrachlorobenzene634-90-252 % similar 3,4-Dichloroaniline95-76-152 % similar Pentachlorobenzene608-93-550 % similar 1,2,3-Trichlorobenzene87-61-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4-Trichloroaniline634-67-3 2,4,6-Trichloroaniline634-93-5 2,4,5-Trichloroaniline636-30-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook