CAS 54672-09-2 N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline (HCID 521528)

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Basic information

CAS: 54672-09-2
Standard SMILES: CN(C)c1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIKey: OIZCWRMHLSZGKT-UHFFFAOYSA-N
Molecular formula: C9H9F3N2O2
Average molar mass: 234.17 g/mol
Monoisotopic mass: 234.06161202

Names & identifiers

Preferred name: N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline
IUPAC: N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline
English name: 2-Trifluoromethyl-N,N-dimethyl-4-nitroaniline
Molecular formula: C9H9F3N2O2
Molecular weight: 234.18

Names & synonyms

N,N-dimethyl-4-nitro-2-(trifluoromethyl)aniline54672-09-22-Trifluoromethyl-N,N-dimethyl-4-nitroaniline2-Dimethylamino-5-nitrobenzotrifluorideMFCD00043459Dimethyl-(4-nitro-2-trifluoromethyl-phenyl)-amineN,N-Dimethyl-4-nitro-2-trifluoromethylanilinedimethyl[4-nitro-2-(trifluoromethyl)phenyl]aminedimethyl-(4-nitro-2-trifluoromethylphenyl)amineSCHEMBL186720Benzene, 1-trifluoromethyl-2-dimethylamino-5-nitro-DTXSID20334672

Show more names

TIMTEC-BB SBB007972Benzenamine, N,N-dimethyl-4-nitro-2-(trifluoromethyl)-

SBB007972AKOS016003646CCG-247269SB77054BS-28624DB-080937CS-0213348ST50411123

Database identifiers

CAS: 54672-09-2
PubChem CID: 521528
DTXSID: DTXSID20334672

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 262

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501