2,3,5,6-Tetrachloroaniline

C₆H₃Cl₄NCAS 3481-20-7230.90 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₃Cl₄N
Molar mass: 230.90 g/mol
Exact mass: 228.9020 Da
Melting point: 106–108 °C
logP: 3.88Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H311 Toxic in contact with skin97.7% of notifiers
H331 Toxic if inhaled90.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure97.7% of notifiers
H400 Very toxic to aquatic life93.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects93.2% of notifiers

Aggregated from 44 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

3481-20-7

SMILES

Nc1c(Cl)c(Cl)cc(Cl)c1Cl

InChIKey

YTDHEFNWWHSXSU-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2,3,5,6-tetrachloro-
Aniline, 2,3,5,6-tetrachloro-
2,3,5,6-Tetrachlorobenzenamine
NSC 29028

Work with 2,3,5,6-Tetrachloroaniline

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

Pentachlorobenzene608-93-558 % similar 3,4,5-Trichloroaniline634-91-355 % similar Pentachloroaniline527-20-853 % similar 2,6-Dichloroaniline608-31-152 % similar 2,6-Dichloro-1,4-benzenediamine609-20-148 % similar 2,4,6-Trichloroaniline634-93-548 % similar 2,3,5,6-Tetrachlorophenol935-95-548 % similar 1,2,3,5-Tetrachlorobenzene634-90-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nitrapyrin1929-82-4 2-Chloro-5-trichloromethylpyridine69045-78-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook