AG00GTVP

910911-43-2 | 1-FLUORO-2-METHYL-3-(TRIFLUOROMETHYL)BENZENE

AG00GTVP

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CAS Number	910911-43-2
Catalog Number	AG00GTVP(AGN-PC-0VRO22)
Chemical Name	1-FLUORO-2-METHYL-3-(TRIFLUOROMETHYL)BENZENE
IUPAC Name	1-fluoro-2-methyl-3-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F4/c1-5-6(8(10,11)12)3-2-4-7(5)9/h2-4H,1H3
InChI Key	YUCGIKTVAIPINQ-UHFFFAOYSA-N
MDL Number	MFCD08062608
Molecular Formula	C8H6F4
Molecular Weight	178.1269
SMILES	CC1=C(C=CC=C1F)C(F)(F)F
Synonyms	3-Fluoro-2-methylbenzotrifluoride, 910911-43-2, 1-fluoro-2-methyl-3-(trifluoromethyl)benzene, 2-Fluoro-6-(trifluoromethyl)toluene, PubChem4868, SCHEMBL173020, DTXSID80474669, 2-Fluoro-6-trifluoromethyl-toluene, KS-00003RA3, ZX-AP003466, FCH922875, KM2975, MFCD08062608, PC3319, SBB089375, ZINC66329350, AKOS005255467, PS-8561, AJ-116118, AX8058363, DB-000604, FT-0678627, X8404, 3-fluoro-2-methyl-1-(trifluoromethyl)benzene, A21494, I14-11364, BENZENE,1-FLUORO-2-METHYL-3-(TRIFLUOROMETHYL)-, 1-Fluoro-2-methyl-3-(trifluoromethyl)benzene;2-Fluoro-6-(trifluoromethyl)toluene, C8H6F4, 1-FLUORO-2-METHYL-3- BENZENE, CID11955127, 80245-26-7,

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	H225-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P210-P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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