Pentachloroaniline

C₆H₂Cl₅NCAS 527-20-8265.34 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₂Cl₅N
Molar mass: 265.34 g/mol
Exact mass: 262.8630 Da
Melting point: 235 °C
logP: 4.54Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed91.7% of notifiers
H311 Toxic in contact with skin91.7% of notifiers
H331 Toxic if inhaled85.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure89.6% of notifiers
H400 Very toxic to aquatic life93.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects93.8% of notifiers

Aggregated from 48 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

527-20-8

SMILES

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

InChIKey

KHCZSJXTDDHLGJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 2,3,4,5,6-pentachloro-
Aniline, 2,3,4,5,6-pentachloro-
Aniline, pentachloro-
2,3,4,5,6-Pentachlorobenzenamine
2,3,4,5,6-Pentachloroaniline
PCA
Pentachloroaminobenzene
NSC 49579

Work with Pentachloroaniline

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

2,3,5,6-Tetrachloroaniline3481-20-753 % similar Hexachlorobenzene118-74-150 % similar 3,5-Dichloro-2,6-difluoro-4-pyridinamine2840-00-848 % similar 4,6-Dibromo-2,3-dichloroaniline113571-15-643 % similar Octachloronaphthalene2234-13-140 % similar Hexaaminobenzene4444-26-238 % similar Disperse violet 2881-42-536 % similar 2,6-Dichloro-3-methylaniline64063-37-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dichloro-5-(trichloromethyl)pyridine69045-83-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook