AG002S72

261952-19-6 | Benzene, 4-(bromomethyl)-1-methyl-2-(trifluoromethyl)-

AG002S72

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CAS Number	261952-19-6
Catalog Number	AG002S72(AGN-PC-0KKWZK)
Chemical Name	Benzene, 4-(bromomethyl)-1-methyl-2-(trifluoromethyl)-
IUPAC Name	4-(bromomethyl)-1-methyl-2-(trifluoromethyl)benzene
InChI	InChI=1S/C9H8BrF3/c1-6-2-3-7(5-10)4-8(6)9(11,12)13/h2-4H,5H2,1H3
InChI Key	DEGVSFJBDJUTBP-UHFFFAOYSA-N
MDL Number	MFCD01631612
Molecular Formula	C9H8BrF3
Molecular Weight	253.0590
SMILES	FC(C1=CC(CBr)=CC=C1C)(F)F
Synonyms	261952-19-6, 4-(bromomethyl)-1-methyl-2-(trifluoromethyl)benzene, 4-Methyl-3-(trifluoromethyl)benzyl bromide, MFCD01631612, AC1MCQCX, ACMC-1CIAW, SCHEMBL122429, CTK4F7366, DTXSID40379621, DEGVSFJBDJUTBP-UHFFFAOYSA-N, ZINC2382322, SBB101208, AKOS015956028, PS-9957, 4-methyl-3-trifluoromethyl benzylbromide, AK309333, RT-009766, Benzene, 4-(bromomethyl)-1-methyl-2-(trifluoromethyl)-, Benzene,4-(bromomethyl)-1-methyl-2-(trifluoromethyl)-, I14-106334, CID2775627,

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	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number