4-Chloro-2-methyl-5-nitroaniline

HCID 292965

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Basic information

CAS: 34648-99-2
Standard SMILES: Cc1cc(Cl)c([N+](=O)[O-])cc1N
InChIKey: WUSAYXHDBDAHGU-UHFFFAOYSA-N
Molecular formula: C7H7ClN2O2
Average molar mass: 186.59 g/mol
Monoisotopic mass: 186.01960514

Names & identifiers

Preferred name: 4-Chloro-2-methyl-5-nitroaniline
IUPAC: 4-chloro-2-methyl-5-nitroaniline
English name: 4-CHLORO-5-NITRO-2-TOLUIDINE
Molecular formula: C7H7ClN2O2
Molecular weight: 186.6

Names & synonyms

4-chloro-2-methyl-5-nitroanilineDTXSID60303589RefChem:521123DTXCID80254721890-036-034648-99-24-CHLORO-5-NITRO-2-TOLUIDINEMFCD00007843NSC159236SCHEMBL23125892-amino-4-nitro-5-chlorotoluene2-amino-5-chloro-4-nitrotoluene

Show more names

4-Chloro-5-nitro-o-toluidine (NH2=1)Benzenamine, 4-chloro-2-methyl-5-nitro-

WUSAYXHDBDAHGU-UHFFFAOYSA-NJBA648994-Chloro-2-methyl-5-nitro-anilineAKOS0036322694-Chloro-2-methyl-5-nitro-phenylamineNSC-159236EN300-78806E89216

Database identifiers

CAS: 34648-99-2
PubChem CID: 292965
DTXSID: DTXSID60303589
EC Number: 890-036-0
Nikkaji: J2.530.740B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 183

Physicochemical properties

InChI: InChI=1S/C7H7ClN2O2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,9H2,1H3
InChIKey: WUSAYXHDBDAHGU-UHFFFAOYSA-N
SMILES: C1(N)=CC([N+]([O-])=O)=C(Cl)C=C1C
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Warning
Hazard statements: 319 · H319-H411-H312-H315-H302-H373-H332-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P260-P314-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS08,GHS09
Hazard statements: H319-H411-H312-H315-H302-H373-H332-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P260-P314-P501