5-Bromo-2-methoxybenzyl alcohol - CAS 80866-82-6

Catalog:	BB036566
Product Name:	5-Bromo-2-methoxybenzyl alcohol
CAS:	80866-82-6
Synonyms:	(5-bromo-2-methoxyphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(5-bromo-2-methoxyphenyl)methanol
Description:	5-Bromo-2-methoxybenzyl alcohol (CAS# 80866-82-6) is a useful research chemical.
Molecular Weight:	217.06
Molecular Formula:	C8H9BrO2
Canonical SMILES:	COC1=C(C=C(C=C1)Br)CO
InChI:	InChI=1S/C8H9BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
InChI Key:	HAOOGRLZVQWDBY-UHFFFAOYSA-N
Boiling Point:	299.4 °C at 760 mmHg
Melting Point:	68-71 °C (lit.)
Purity:	95 %
Density:	1.513 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD00004630
LogP:	1.95000

Publication Number	Title	Priority Date
WO-2021170774-A1	New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them	20200228
WO-2020241853-A1	Benzotriazole derivative	20190531
US-2020055814-A1	Anti-fibrotic compounds	20170203
WO-2018144620-A1	Anti-fibrotic compounds	20170203
WO-2018144620-A9	ANTI-FIBROTIC COMPOUNDS	20170203

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	119
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:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5