AG003E3E

929000-62-4 | 1-bromo-2-methyl-4-(trifluoromethyl)benzene

AG003E3E

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CAS Number	929000-62-4
Catalog Number	AG003E3E(AGN-PC-0WAJJN)
Chemical Name	1-bromo-2-methyl-4-(trifluoromethyl)benzene
IUPAC Name	1-bromo-2-methyl-4-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6BrF3/c1-5-4-6(8(10,11)12)2-3-7(5)9/h2-4H,1H3
InChI Key	NXHNLJDFFBZSKJ-UHFFFAOYSA-N
MDL Number	MFCD09258773
Molecular Formula	C8H6BrF3
Molecular Weight	239.0324
SMILES	CC1=C(Br)C=CC(=C1)C(F)(F)F
Synonyms	1-bromo-2-methyl-4-(trifluoromethyl)benzene, 929000-62-4, 4-Bromo-3-methylbenzotrifluoride, 1-Bromo-2-methyl-4-trifluoromethylbenzene, 2-Bromo-5-(trifluoromethyl)toluene, MFCD09258773, 1-BROMO-2-METHYL-4-(TRIFLUOROMETHYL)BENZENE, 2-BROMO-5-TRIFLUOROMETHYLTOLUENE, ACMC-209riv, SCHEMBL624000, CTK8B2705, DTXSID50628096, NXHNLJDFFBZSKJ-UHFFFAOYSA-N, ANW-39941, SBB099024, ZINC63148520, AKOS005255454, AB49766, AS05919, CM13217, FS-4398, MCULE-1728923089, RTR-029121, 2-Methyl-4-(trifluoromethyl)bromobenzene, DA-00839, 1-bromo-2-methyl-4-trifluoromethyl-benzene, AJ-114346, TR-029121, FT-0678622, ST24037857, Z1115, B-4320, Benzene, 1-bromo-2-methyl-4-(trifluoromethyl)-, I01-10772, Z1741970485, C8H6BrF3, 4-Bromo-alpha,alpha,alpha-trifluoro-m-xylene,

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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