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2,3-Dimethylbenzyl Bromide

2,3-Dimethylbenzyl Bromide - CAS 81093-21-2

Catalog:	BB036604
Product Name:	2,3-Dimethylbenzyl Bromide
CAS:	81093-21-2
Synonyms:	1-(bromomethyl)-2,3-dimethylbenzene; 1-(bromomethyl)-2,3-dimethylbenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-(bromomethyl)-2,3-dimethylbenzene
Description:	2,3-Dimethylbenzyl Bromide (CAS# 81093-21-2) is a useful research chemical.
Molecular Weight:	199.09
Molecular Formula:	C9H11Br
Canonical SMILES:	CC1=C(C(=CC=C1)CBr)C
InChI:	InChI=1S/C9H11Br/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3
InChI Key:	UFYRPPWFKLXRQV-UHFFFAOYSA-N
Boiling Point:	240 °C
Density:	1.314 g/cm³
MDL:	MFCD03844741
LogP:	3.19830

Publication Number	Title	Priority Date
CN-109422749-A	A kind of pyrimidinedione derivative inhibiting monocarboxylate transporter	20170821
AU-2016315360-A1	Pyridinone dicarboxamide for use as bromodomain inhibitors	20150902
EA-033679-B1	Pyridinone dicarboxamides for use as bromodomain inhibitors	20150902
US-10428026-B2	Pyridinone dicarboxamide for use as bromodomain inhibitors	20150902
US-2018258044-A1	Pyridinone dicarboxamide for use as bromodomain inhibitors	20150902

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.00441
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.00441
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2