AG006VPE

50837-53-1 | Benzene,2-(bromomethyl)-1,4-dimethyl-

AG006VPE

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CAS Number	50837-53-1
Catalog Number	AG006VPE(AGN-PC-00418O)
Chemical Name	Benzene,2-(bromomethyl)-1,4-dimethyl-
IUPAC Name	2-(bromomethyl)-1,4-dimethylbenzene
InChI	InChI=1S/C9H11Br/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3
InChI Key	DHJPEGRMZQBUMM-UHFFFAOYSA-N
MDL Number	MFCD03844737
Molecular Formula	C9H11Br
Molecular Weight	199.0876
SMILES	CC1=C(CBr)C=C(C=C1)C
Synonyms	2,5-DIMETHYLBENZYL BROMIDE, 50837-53-1, 2-(bromomethyl)-1,4-dimethylbenzene, 2,5-DIMETHYLBENZYLBROMIDE, Benzene,2-(bromomethyl)-1,4-dimethyl-, SCHEMBL1050239, CTK4J3231, DTXSID00569440, DHJPEGRMZQBUMM-UHFFFAOYSA-N, ZINC2518331, 2-bromomethyl-1,4-dimethyl-benzene, MFCD03844737, AKOS010814723, AS-46456, DA-05358, FT-0691258,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.091g/mol
Monoisotopic Mass	198.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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 1759

Certificate of Analysis

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