AG003HOS

13630-19-8 | 1-Methyl-2-(trifluoromethyl)benzene

AG003HOS

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CAS Number	13630-19-8
Catalog Number	AG003HOS(AGN-PC-0KKWS8)
Chemical Name	1-Methyl-2-(trifluoromethyl)benzene
IUPAC Name	1-methyl-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
InChI Key	DVFVNJHIVAPTMS-UHFFFAOYSA-N
MDL Number	MFCD00153204
Molecular Formula	C8H7F3
Molecular Weight	160.1364
SMILES	FC(C1=CC=CC=C1C)(F)F
Synonyms	2-Methylbenzotrifluoride, 13630-19-8, 1-methyl-2-(trifluoromethyl)benzene, 2-(Trifluoromethyl)toluene, 1-Methyl-2-trifluoromethyl-benzene, alpha,alpha,alpha-Trifluoro-o-xylene, MFCD00153204, Benzene, methyl(trifluoromethyl)-, Benzene, 1-methyl-2-(trifluoromethyl)-, AK-53820, 2-methyl-1-(trifluoromethyl)benzene, trifluoromethyltoluene, PubChem1657, trifluoromethyl toluene, 2-methylbenzotrifuoride, 2-Trifluoromethyltoluene, AC1MCQ5E, Intermediates-ZCF02050, KSC915E1B, SCHEMBL169124, 2-methylbenzotrifluoride, 97+%, CTK8B5210, KS-00000EWV, DTXSID40379525, DVFVNJHIVAPTMS-UHFFFAOYSA-N, ACT13123, ZINC2526244, ZX-AP004629, 2-Methylbenzotrifluoride, AldrichCPR, ANW-47977, BBL104099, FCH917531, PC5067, SBB087418, STL557914, AKOS005255031, AC-4149, AM61763, AN-2068, AS01762, CM13256, CS-W002447, LF10154, LS10424, RP22320, RTR-004862, AJ-37574, BR-53820, CC-11474, DS-14288, R398, SC-00920, SY022894, AB0018137, AX8031825, DB-000365, ST2415404, TL8000841, FT-0084651, FT-0613011, M1215, ST50407369, B-7197, 2-methylbenzotrifluoride/2-trifluoromethyltoluene, MFCD00153204 (97+%), 630M198, C-03956, I01-3131, J-510043, 2-(trifluoromethyl)toluene~alpha,alpha,alpha-trifluoro-o-xylene, 3-(p-Tolyl)-1H-pyrazole, C8H7F3, ACN-055962, CID2775324, A2921, 144851-82-1,

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	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
UN Code	UN 1993

Certificate of Analysis

Lot Number