4-Methoxybenzyl Bromide - CAS 2746-25-0

Name: 4-Methoxybenzyl Bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019573
Product Name:	4-Methoxybenzyl Bromide
CAS:	2746-25-0
Synonyms:	1-(bromomethyl)-4-methoxybenzene; 1-(bromomethyl)-4-methoxybenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(bromomethyl)-4-methoxybenzene
Description:	4-Methoxybenzyl Bromide (CAS# 2746-25-0) is a useful reactant in studying diarylpyrazoles as cyclooxygenase 2 inhibitors.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	COC1=CC=C(C=C1)CBr
InChI:	InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI Key:	GIGRWGTZFONRKA-UHFFFAOYSA-N
Boiling Point:	91 °C (1 mmHg)
Density:	1.379 g/cm³
MDL:	MFCD00800380
LogP:	2.59010

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Related Functional Groups

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]C8H17Cl
1-Chlorooctane
[56517-33-0]C11H13BrO3
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

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

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PMID	Publication Date	Title	Journal
21522670	20101218	5-[(4-Meth-oxy-benz-yl)sulfan-yl]-2-methyl-1,3,4-thia-diazole	Acta crystallographica. Section E, Structure reports online
21579520	20100526	3-(4-Methoxy-benz-yl)-1-benzothio-phene	Acta crystallographica. Section E, Structure reports online
21579467	20100519	2-[4-Chloro-3-(4-ethoxy-benz-yl)phen-yl]-1,3-dithiane	Acta crystallographica. Section E, Structure reports online
19916554	20100114	Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases	Journal of medicinal chemistry
19105725	20090101	Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction	Journal of combinatorial chemistry

Complexity:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.98368
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.98368
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5