2-(4-Bromophenoxy)ethanol - CAS 34743-88-9

Name: 2-(4-Bromophenoxy)ethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-(4-bromophenoxy)ethanol
Description:	2-(4-Bromophenoxy)ethanol (CAS# 34743-88-9) is a useful synthetic intermediate. It was used in the synthesis of lithium 2-(4-lithiophenoxy)ethoxide. It was also used to prepare aryl-substituted diazabicyclononenecarboxamides as potent renin inhibitors.
Molecular Weight:	217.06
Molecular Formula:	C8H9BrO2
Canonical SMILES:	C1=CC(=CC=C1OCCO)Br
InChI:	InChI=1S/C8H9BrO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
InChI Key:	QYIOGYCRGNHDNK-UHFFFAOYSA-N
Boiling Point:	184 °C / 20 mmHg (lit.)
Purity:	98 %
Density:	1.511 g/cm³
Appearance:	White solid, powder, crystals and/or chunks
MDL:	MFCD00002860
LogP:	1.82020

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021037868-A1	Novel quinazoline compounds for the treatment and prophylaxis of hepatitis b virus disease	20190828
WO-2020254572-A1	Egfr inhibitors for the treatment of cancer	20190621
WO-2020227156-A1	Adenosine 2 receptor antagonists	20190503
WO-2020150372-A1	Antimicrobial compounds and methods	20190116
US-10633383-B2	Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates	20180105

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.97859
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.97859
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9