AG003IWR

401-94-5 | 3-Nitro-5-(trifluoromethyl)aniline

AG003IWR

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CAS Number	401-94-5
Catalog Number	AG003IWR(AGN-PC-0KKX1H)
Chemical Name	3-Nitro-5-(trifluoromethyl)aniline
IUPAC Name	3-nitro-5-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-5(11)3-6(2-4)12(13)14/h1-3H,11H2
InChI Key	LTVWXWWSCLXXAT-UHFFFAOYSA-N
MDL Number	MFCD00061229
Molecular Formula	C7H5F3N2O2
Molecular Weight	206.1220
SMILES	NC1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1
Synonyms	3-nitro-5-(trifluoromethyl)aniline, 401-94-5, 3-Amino-5-nitrobenzotrifluoride, MFCD00061229, 3-amino-5-(trifluoromethyl)nitrobenzene, 3-nitro-5-trifluoromethyl-phenylamine, 3-nitro-5-(trifluoromethyl)benzenamine, 5-nitro-3-(trifluoromethyl)phenylamine, AK-35045, Benzenamine, 3-nitro-5-(trifluoromethyl)-, PubChem2558, PubChem2795, AC1MCQF6, SCHEMBL1894, KSC915S5R, 3-Nitro-5-trifluoromethylaniline, CTK8B5958, DTXSID00379667, LTVWXWWSCLXXAT-UHFFFAOYSA-N, 3-(Trifluoromethyl)-5-nitroaniline, ACT11603, KS-000009RD, ZX-AP004522, ANW-51387, PC8673, SBB064789, ZINC15440586, AKOS002663570, 3-nitro-5-(trifluoromethyl)phenylamine, AS05401, CM11519, CS-W002284, FCH1321535, RTR-016048, TRA0025162, 3-AMINO-5-NITRO BENZOTRIFLUORIDE, AJ-67332, AN-44749, CJ-15101, DS-12362, SC-04260, SY003092, AX8033577, 4CH-006175, AM20050181, FT-0659518, ST24032656, W6061, M-4727, MFCD00061229 (97+%), 401A945, A824974, C-47034, I01-5852, C7H5F3N2O2, 3-Amino-5-N-nitrobenzotrifluoride, ACN-055889, CID2775709,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.124g/mol
Monoisotopic Mass	206.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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