AG0014S7

1214331-63-1 | Benzene, 2-fluoro-1-methyl-3-(trifluoromethyl)-

AG0014S7

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CAS Number	1214331-63-1
Catalog Number	AG0014S7(AGN-PC-0WA6OC)
Chemical Name	Benzene, 2-fluoro-1-methyl-3-(trifluoromethyl)-
IUPAC Name	2-fluoro-1-methyl-3-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F4/c1-5-3-2-4-6(7(5)9)8(10,11)12/h2-4H,1H3
InChI Key	JQJROTAJVIREBJ-UHFFFAOYSA-N
MDL Number	MFCD13185663
Molecular Formula	C8H6F4
Molecular Weight	178.1269
SMILES	FC(C1=C(F)C(C)=CC=C1)(F)F
Synonyms	1214331-63-1, 2-Fluoro-1-methyl-3-(trifluoromethyl)benzene, 2-Fluoro-3-trifluoromethyltoluene, 2-Fluoro-3-(Trifluoromethyl)Toluene, 2-Fluoro-3-methylbenzotrifluoride, KSC914C4J, SCHEMBL476650, CTK8B4144, KS-00000YZN, DTXSID30591512, 3828AA, ANW-44033, CL8820, MFCD13185663, ZINC66325519, AKOS015890544, FCH1165624, AK-94365, AS-46113, AJ-115992, AX8160672, DB-011017, TC-132778, FT-0729316, ST24027990, Benzene, 2-fluoro-1-methyl-3-(trifluoromethyl)-, I01-7487, C8H6F4,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.041g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.13g/mol
Monoisotopic Mass	178.041g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number