CAS 21745-41-5 (2-Amino-3-chlorophenyl)amine (HCID 3462489)

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Basic information

CAS: 21745-41-5
Standard SMILES: Nc1cccc(Cl)c1N
InChIKey: SAIXZIVDXDTYCH-UHFFFAOYSA-N
Molecular formula: C6H7ClN2
Average molar mass: 142.58 g/mol
Monoisotopic mass: 142.0297759

Names & identifiers

Preferred name: (2-Amino-3-chlorophenyl)amine
IUPAC: 3-chlorobenzene-1,2-diamine
English name: 1,2-Diamino-3-chlorobenzene
Molecular formula: C6H7ClN2
Molecular weight: 142.59

Names & synonyms

(2-AMINO-3-CHLOROPHENYL)AMINERefChem:395288800-933-03-chlorobenzene-1,2-diamine1,2-Diamino-3-chlorobenzene21745-41-53-CHLORO-1,2-BENZENEDIAMINEMFCD098817421,2-Benzenediamine, 3-chloro-3-Chloro-benzene-1,2-diamine2,3-Diaminochlorobenzene3-Chloro-1,2-diaminobenzene

Show more names

2-Amino-3-chloroaniline6-Chloro-1,2-benzenediamine3-Chloro-o-phenylenediamine(2-amino-3-chlorophenyl)amine(SALTDATA: FREE)3-Chloro-1,2-diaminobenzene, 3-Chlorophenylene-1,2-diamine3-Chloro-1,2-diaminobenzene, 3-Chlorophenylene-1,2-diamine, 2,3-Diaminochlorobenzene

diaminochlorobenzeneSCHEMBL105595SCHEMBL571253SCHEMBL29674887DTXSID90392704BBL018943CL8377SBB074255

Database identifiers

CAS: 21745-41-5
PubChem CID: 3462489
DTXSID: DTXSID90392704
EC Number: 800-933-0
Nikkaji: J83.095J

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 27 · 27-29°
Boiling point: 125 °C · 125 °C
Density: 1.345 · 1.345±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: SMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 3.1 · 3.10±0.10(Predicted)
color: Dark Brown to Black
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227
Precautionary statements: 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
HS Code: 2921511990 · 2921511990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2921511990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H227
Precautionary statements: P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235