AG002S74

261952-16-3 | Benzene, 1-(bromomethyl)-2-methyl-3-(trifluoromethyl)-

AG002S74

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CAS Number	261952-16-3
Catalog Number	AG002S74(AGN-PC-0KKWZC)
Chemical Name	Benzene, 1-(bromomethyl)-2-methyl-3-(trifluoromethyl)-
IUPAC Name	1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
InChI	InChI=1S/C9H8BrF3/c1-6-7(5-10)3-2-4-8(6)9(11,12)13/h2-4H,5H2,1H3
InChI Key	YSABBOPLIUMXKY-UHFFFAOYSA-N
MDL Number	MFCD01631608
Molecular Formula	C9H8BrF3
Molecular Weight	253.0590
SMILES	FC(C1=C(C)C(CBr)=CC=C1)(F)F
Synonyms	261952-16-3, 1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene, 2-Methyl-3-(trifluoromethyl)benzyl bromide, Benzene, 1-(bromomethyl)-2-methyl-3-(trifluoromethyl)-, 2-METHYL-3-TRIFLUOROMETHYLBENZYL BROMIDE, MFCD01631608, 2-methyl-3-trifluoromethylbenzylbromide, AC1MCQCN, ACMC-209wwf, KSC497Q9N, SCHEMBL724189, CTK3J7896, KS-00000ZYG, DTXSID90379616, YSABBOPLIUMXKY-UHFFFAOYSA-N, BCP24586, JRD-0948, ZINC2382316, ZX-AP000039, ANW-46909, CL8710, PC0479, SBB101204, AKOS015919729, AM84066, AS05990, CM13443, FCH1320565, RTC-030919, 2-Methyl-3-(trifluoromethyl)benzylbromide, ACM261952163, AJ-34832, AS-46082, BR-61733, CJ-08142, AB0023824, AX8076820, DB-006187, ST2415058, TC-030919, 4CH-015253, FT-0080295, FT-0650854, W4963, S-4717, 1-Bromomethyl-2-methyl-3-trifluoromethyl-benzene, 2 - Methyl - 3 - (trifluoromethyl)benzyl bromide, 3-(bromomethyl)-2-methyl-1-(trifluoromethyl)benzene, 2-Methyl-3-(trifluoromethyl)benzyl bromide, AldrichCPR, I14-102371, C9H8BrF3, 2-METHYL-3- BENZYLBROMIDE, RW1557, ACN-053260, CID2775617, 2-Methyl-3-(trifluoromethyl)benzl bromide, A5201,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.976g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.062g/mol
Monoisotopic Mass	251.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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