4-Bromobenzyl bromide - CAS 589-15-1

Catalog:	BB030204
Product Name:	4-Bromobenzyl bromide
CAS:	589-15-1
Synonyms:	1-bromo-4-(bromomethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-(bromomethyl)benzene
Description:	4-Bromobenzyl Bromide was used to prepare selective nonpeptide AT2 receptor agonists. It was also used in the synthesis of rhodanine derivatives as PRL-3 inhibitors.
Molecular Weight:	249.93
Molecular Formula:	C7H6Br2
Canonical SMILES:	C1=CC(=CC=C1CBr)Br
InChI:	InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChI Key:	YLRBJYMANQKEAW-UHFFFAOYSA-N
Boiling Point:	115-124 ℃ (12 mmHg)
Melting Point:	60-64 ℃
Purity:	95 %
Density:	1.849 g/cm³
Appearance:	White solid
Storage:	Store at R.T.
MDL:	MFCD00000179
LogP:	3.34400

Publication Number	Title	Priority Date
CN-113307775-A	Preparation method of telmisartan	20210416
CN-112876375-A	Preparation method of p-bromobenzylamine hydrochloride as intermediate for synthesizing protein degradation agent 1	20210118
CN-112876388-A	GPR120 agonist and preparation method and application thereof	20210114
CN-112341324-A	Method for synthesizing aryl propionic acid by carbon dioxide carboxylation without metal catalysis	20201201
CN-112341324-B	Method for synthesizing aryl propionic acid by carbon dioxide carboxylation without metal catalysis	20201201

PMID	Publication Date	Title	Journal
22376008	20120322	Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors	Journal of medicinal chemistry
22148754	20120112	Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors	Journal of medicinal chemistry
19217534	20090201	Synthesis and PET studies of [(11)C-cyano]letrozole (Femara), an aromatase inhibitor drug	Nuclear medicine and biology
21581835	20090108	3,6-Dibromo-9-(4-bromo-benz-yl)-9H-carbazole	Acta crystallographica. Section E, Structure reports online
19105723	20090101	Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound	Journal of combinatorial chemistry

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GHS Hazard Statement:	H314 (96.77%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P272, P280, P285, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P333+P313, P342+P311, P363, P405, and P501
Signal Word:	Danger

Complexity:	75
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.88158
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.88363
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4