AG00BY4I

401-79-6 | 3-Trifluoromethyltoluene

AG00BY4I

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CAS Number	401-79-6
Catalog Number	AG00BY4I(AGN-PC-00GIUU)
Chemical Name	3-Trifluoromethyltoluene
IUPAC Name	1-methyl-3-(trifluoromethyl)benzene
InChI	InChI=1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3
InChI Key	VJYXZJGDFJJDGF-UHFFFAOYSA-N
MDL Number	MFCD00190105
Molecular Formula	C8H7F3
Molecular Weight	160.1364
SMILES	CC1=CC(=CC=C1)C(F)(F)F
Synonyms	3-Methylbenzotrifluoride, 401-79-6, 1-methyl-3-(trifluoromethyl)benzene, 3-(Trifluoromethyl)toluene, 3-Trifluoromethyltoluene, Benzene, 1-methyl-3-(trifluoromethyl)-, 1-Methyl-3-trifluoromethyl-benzene, M-METHYLBENZOTRIFLUORIDE, alpha,alpha,alpha-Trifluoro-m-xylene, MFCD00190105, AK-50588, 3-methyl-1-(trifluoromethyl)benzene, PubChem1658, ACMC-209jbj, 3-methyl benzotrifluoride, KSC911M2N, 3-Methylbenzotrifluoride 98%, SCHEMBL148048, 3-Methylbenzotrifluoride, 98%, AC1L382U, M-TRIFLUOROMETHYL TOLUENE, CTK8B1626, KS-00000KKP, DTXSID10193139, VJYXZJGDFJJDGF-UHFFFAOYSA-N, ACT13124, ZINC2556405, ZX-AP003440, ACM401796, ANW-29309, FCH931549, PC4507, SBB087415, 1-methyl-3-(trifluoromethyl)-benzene, AKOS006222503, AC-4150, AM61956, AN-2067, AS01763, LF10160, LS10423, VZ27103, AJ-39883, BR-50588, CJ-09397, PS-11764, SC-47779, AB0034171, AX8033576, DB-000364, ST2415414, TC-060539, TL8002907, 4CH-013498, FT-0616132, M2944, ST50407097, X8281, B-3074, m-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-, I01-4825, C8H7F3, CID136246, ACN-055965,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.05g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.139g/mol
Monoisotopic Mass	160.05g/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

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