AG008NNC

78831-87-5 | 1-(BROMOMETHYL)-2,4-DIMETHYLBENZENE

AG008NNC

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CAS Number	78831-87-5
Catalog Number	AG008NNC(AGN-PC-0KK6N5)
Chemical Name	1-(BROMOMETHYL)-2,4-DIMETHYLBENZENE
IUPAC Name	1-(bromomethyl)-2,4-dimethylbenzene
InChI	InChI=1S/C9H11Br/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,6H2,1-2H3
InChI Key	WGLUZJWOTTXZIC-UHFFFAOYSA-N
MDL Number	MFCD03844740
Molecular Formula	C9H11Br
Molecular Weight	199.0876
SMILES	CC1=CC=C(CBr)C(C)=C1
Synonyms	1-(bromomethyl)-2,4-dimethylbenzene, 78831-87-5, 2,4-DIMETHYLBENZYL BROMIDE, Benzene,1-(bromomethyl)-2,4-dimethyl-, Benzene, 1-(bromomethyl)-2,4-dimethyl-, AC1MC1IK, 2,4-dimethylbenzylbromide, SCHEMBL1721087, CTK5E6154, DTXSID50370386, WGLUZJWOTTXZIC-UHFFFAOYSA-N, 1-Bromomethyl-2,4-dimethylbenzene, 2,4-Dimethylbenzyl bromide, 98%, KS-00000MO3, ZINC2518333, ANW-56681, MFCD03844740, AKOS009307160, MCULE-5431970771, MP-0333, AC-28605, AJ-37087, AK-77731, AS-30678, CJ-08756, AB0052069, ST2408598, TX-016184, 4CH-014832, FT-0703609, Z5135, I14-70254, C9H11Br, 1-(bromomethyl)-2,4-dimethyl-benzene, CID2734604, Benzene, 1-(bromomethyl)-2,4-dimethyl- (7CI, 9CI),

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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