AG004MEL

86845-27-4 | 5-Bromo-2-methylbenzotrifluoride

AG004MEL

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CAS Number	86845-27-4
Catalog Number	AG004MEL(AGN-PC-0KKWZQ)
Chemical Name	5-Bromo-2-methylbenzotrifluoride
IUPAC Name	4-bromo-1-methyl-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
InChI Key	IZFVIEYHUOUPPH-UHFFFAOYSA-N
MDL Number	MFCD01631587
Molecular Formula	C8H6BrF3
Molecular Weight	239.0324
SMILES	CC1=C(C=C(Br)C=C1)C(F)(F)F
Synonyms	5-Bromo-2-methylbenzotrifluoride, 86845-27-4, 4-Methyl-3-(trifluoromethyl)bromobenzene, 4-bromo-1-methyl-2-(trifluoromethyl)benzene, 4-Bromo-2-(trifluoromethyl)toluene, 3-bromo-6-methylbenzotrifluoride, 4-bromo-1-methyl-2-trifluoromethyl-benzene, 4-methyl-3-(trifluoromethyl) bromobenzene, Benzene, 4-bromo-1-methyl-2-(trifluoromethyl)-, MFCD01631587, Benzene,4-bromo-1-methyl-2-(trifluoromethyl)-, AC1MCQD5, KSC657E6D, SCHEMBL195209, CTK5F7261, KS-00000WHZ, DTXSID80379625, IZFVIEYHUOUPPH-UHFFFAOYSA-N, JRD-0927, ZINC2382286, 5-bromo-2-methylbenzotrifluoride98%, SBB099021, 5-bromo-2-methylbenzotrifluoride 98%, AKOS005256209, AM62332, AN-6026, AS04737, LF10105, PS-7610, TRA0001222, VZ29377, 5-Bromo-2-methylbenzotrifluoride,97+%, AJ-34821, AK-36619, BC005292, BP-20386, CJ-08140, SC-28519, SY032240, 4-bromo-1-methyl-2-trifluoromethylbenzene, AB0034268, ST2418649, TC-063035, TL8005631, FT-0620107, ST50408638, X8390, MFCD01631587 (98%), C-5208, 4 - Methyl - 3 - (trifluoromethyl)bromobenzene, 4-methyl-3-(trifluoromethyl)bromobenzene, 97+%, I01-6807, 4-methyl-3-(trifluoromethyl)bromobenzene86845-27-4, C8H6BrF3, 4-METHYL-3- BROMOBENZENE, ACN-055914, CID2775635, A10343, 4-Thiazolidinone,5-(3-methyl-2(3H)-benzothiazolylidene)-3-(phenylmethyl)-2-thioxo-, 66417-30-9, 79610-23-4,

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	3
Hazard statements	H227-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P280-P305+P351+P338-P405-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number