3-Bromo-4-methoxybenzyl Alcohol - CAS 38493-59-3

Catalog:	BB023690
Product Name:	3-Bromo-4-methoxybenzyl Alcohol
CAS:	38493-59-3
Synonyms:	(3-bromo-4-methoxyphenyl)methanol; (3-bromo-4-methoxyphenyl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-bromo-4-methoxyphenyl)methanol
Description:	3-Bromo-4-methoxybenzyl Alcohol (CAS# 38493-59-3) is a useful research chemical.
Molecular Weight:	217.06
Molecular Formula:	C8H9BrO2
Canonical SMILES:	COC1=C(C=C(C=C1)CO)Br
InChI:	InChI=1S/C8H9BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4,10H,5H2,1H3
InChI Key:	QOUYJSKYVZRGCV-UHFFFAOYSA-N
Boiling Point:	307.292 °C at 760 mmHg
Density:	1.513 g/cm³
MDL:	MFCD01861398
LogP:	1.95000

Publication Number	Title	Priority Date
WO-2020002587-A1	Compounds	20180628
AU-2019294533-A1	Compounds	20180628
TW-202012379-A	Chemical compound	20180628
EP-3813813-A1	Compounds	20180628
US-2021213004-A1	Compounds	20180628

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7