AG00161X

121793-12-2 | Benzene, 2-bromo-4-methyl-1-(trifluoromethyl)-

AG00161X

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CAS Number	121793-12-2
Catalog Number	AG00161X(AGN-PC-0WA68N)
Chemical Name	Benzene, 2-bromo-4-methyl-1-(trifluoromethyl)-
IUPAC Name	2-bromo-4-methyl-1-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6BrF3/c1-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3
InChI Key	ILHMYYRIQKCMIZ-UHFFFAOYSA-N
MDL Number	MFCD11226554
Molecular Formula	C8H6BrF3
Molecular Weight	239.0324
SMILES	BrC1=C(C=CC(=C1)C)C(F)(F)F
Synonyms	121793-12-2, 2-Bromo-4-methylbenzotrifluoride, 2-Bromo-4-methyl-1-(trifluoromethyl)benzene, 3-Bromo-4-trifluoromethyltoluene, Benzene, 2-bromo-4-methyl-1-(trifluoromethyl)-, KSC914C4N, SCHEMBL1042555, CTK8B4146, KS-00000YZS, DTXSID90625246, 3-Bromo-4-(trifluoromethyl)toluene, 4137AA, ANW-44036, BBL100817, CL8827, MFCD11226554, STL554611, ZINC66329400, AKOS005255671, FCH1403772, AS-46115, AB0087515, AJ-116120, AX8194685, TR-034740, FT-0678664, ST24027832, Z-0052, C8H6BrF3,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.96g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.035g/mol
Monoisotopic Mass	237.96g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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