AG006Y0X

480438-96-8 | 2-Bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene

AG006Y0X

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CAS Number	480438-96-8
Catalog Number	AG006Y0X(AGN-PC-0KKYU0)
Chemical Name	2-Bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene
IUPAC Name	2-bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene
InChI	InChI=1S/C8H5BrClF3/c9-7-3-6(8(11,12)13)2-1-5(7)4-10/h1-3H,4H2
InChI Key	FFTAVZITFBFVEC-UHFFFAOYSA-N
MDL Number	MFCD03094249
Molecular Formula	C8H5BrClF3
Molecular Weight	273.4775
SMILES	FC(C1=CC=C(CCl)C(Br)=C1)(F)F
Synonyms	480438-96-8, 2-bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene, 2-Bromo-4-(trifluoromethyl)benzyl chloride, 2-bromo-4-trifluoromethylbenzyl chloride, AC1MCT3W, SCHEMBL3690695, CTK4J0600, DTXSID00380879, ZINC2243172, MFCD03094249, AKOS015995403, AS00004, 3-Bromo-4-(chloromethyl)benzotrifluoride, AJ-34227, AS-45841, SC-27653, AB0030447, DB-070906, RT-007457, 4CH-022137, FT-0702961, ST24040046, X2643, 2-bromo-1-(chloromethyl)-4-(trifluoromethyl)benzen, C8H5BrClF3, CID2778356, 1-(Tetrahydro-2H-pyran-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.922g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.477g/mol
Monoisotopic Mass	271.922g/mol
Rotatable Bond Count	1
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	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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