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3,4-Dimethoxybenzyl Bromide

3,4-Dimethoxybenzyl Bromide - CAS 21852-32-4

Catalog:	BB017171
Product Name:	3,4-Dimethoxybenzyl Bromide
CAS:	21852-32-4
Synonyms:	4-(bromomethyl)-1,2-dimethoxybenzene; 4-(bromomethyl)-1,2-dimethoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(bromomethyl)-1,2-dimethoxybenzene
Description:	3,4-Dimethoxybenzyl Bromide (CAS# 21852-32-4 ) is a useful research chemical.
Molecular Weight:	231.09
Molecular Formula:	C9H11BrO2
Canonical SMILES:	COC1=C(C=C(C=C1)CBr)OC
InChI:	InChI=1S/C9H11BrO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3
InChI Key:	AKPSLMUFDIXDJJ-UHFFFAOYSA-N
Boiling Point:	272.9 °C at 760 mmHg
Density:	1.384 g/cm³
MDL:	MFCD09833606
LogP:	2.59870

Publication Number	Title	Priority Date
CN-112538025-A	Preparation method of fluorine-containing compound for hydrophobic surface treatment agent	20201208
CN-111533721-A	Benzopyrone or quinolinone compounds and application thereof	20200515
WO-2021207634-A1	Biomarkers related to parkinson's disease and methods of using the same	20200410
CN-111606904-A	Azaindole compound and application thereof	20200407
CN-111606904-B	Azaindole compound and application thereof	20200407

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Related Functional Groups

Halides

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P301+P310, P304+P340, P312, P321, P330, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.99424
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.99424
Rotatable Bond Count:	3
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1