AG00380X

335013-18-8 | 4-Bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene

AG00380X

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CAS Number	335013-18-8
Catalog Number	AG00380X(AGN-PC-09RYNP)
Chemical Name	4-Bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene
IUPAC Name	4-bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H5Br2F3/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
InChI Key	KYIYLQNLZYNVQY-UHFFFAOYSA-N
MDL Number	MFCD13185414
Molecular Formula	C8H5Br2F3
Molecular Weight	317.9285
SMILES	BrC1=CC(=C(C=C1)CBr)C(F)(F)F
Synonyms	335013-18-8, 4-BROMO-1-(BROMOMETHYL)-2-(TRIFLUOROMETHYL)BENZENE, 4-BROMO-2-TRIFLUOROMETHYLBENZYL BROMIDE, 4-bromo-2-(trifluoromethyl)benzyl bromide, Benzene, 4-bromo-1-(bromomethyl)-2-(trifluoromethyl)-, SCHEMBL195156, CTK8C1584, KS-00000QKV, DTXSID00697373, KYIYLQNLZYNVQY-UHFFFAOYSA-N, ANW-66928, CL8722, MFCD13185414, ZINC82864444, AKOS014097514, AK-94394, AS-46087, SC-35300, AB0070336, AJ-125650, ST2405572, TC-155673, 4CH-017171, FT-0705424, 4-bromo-1-bromomethyl-2-trifluoromethylbenzene, X-3679, 4-Bromo-1-bromomethyl-2-trifluoromethyl-benzene, 4-bromo-1-bromomethyl-2-(trifluoromethyl)benzene, 4-Bromo-1-(bromomethyl)-2-(trifluoromethyl)benzene, AldrichCPR,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.869g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	317.931g/mol
Monoisotopic Mass	315.871g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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