AG004P5F

87617-21-8 | 4-nitro-3-(trifluoromethyl)toluene

AG004P5F

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CAS Number	87617-21-8
Catalog Number	AG004P5F(AGN-PC-00MMQM)
Chemical Name	4-nitro-3-(trifluoromethyl)toluene
IUPAC Name	4-methyl-1-nitro-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F3NO2/c1-5-2-3-7(12(13)14)6(4-5)8(9,10)11/h2-4H,1H3
InChI Key	XEQAJBVCRSOQEY-UHFFFAOYSA-N
MDL Number	MFCD04972921
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	FC(C1=CC(C)=CC=C1[N+]([O-])=O)(F)F
Synonyms	87617-21-8, 4-METHYL-1-NITRO-2-(TRIFLUOROMETHYL)BENZENE, 5-Methyl-2-nitrobenzotrifluoride, 4-nitro-3-(trifluoromethyl)toluene, 4-METHYL-2-TRIFLUOROMETHYL-NITROBENZENE, 4-NITRO-3-TRIFLUOROMETHYLTOLUENE, Benzene, 4-methyl-1-nitro-2-(trifluoromethyl)-, ACMC-209qos, SCHEMBL6119720, 2-nitro-5-methylbenzotrifluoride, CTK2I2324, 5-methyl-2-nitrobenzotrifluoroide, DTXSID10541297, XEQAJBVCRSOQEY-UHFFFAOYSA-N, ZINC2540367, ANW-38858, CL8840, MFCD04972921, AKOS005258062, AJ-39070, AS-46117, TR-027549, FT-0681872, V8528, I01-13683, C8H6F3NO2, A10435,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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