2-Bromo-3-methylbenzyl Alcohol - CAS 168886-97-3

Catalog:	BB012498
Product Name:	2-Bromo-3-methylbenzyl Alcohol
CAS:	168886-97-3
Synonyms:	(2-bromo-3-methylphenyl)methanol; (2-bromo-3-methylphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-bromo-3-methylphenyl)methanol
Description:	2-Bromo-3-methylbenzyl Alcohol (CAS# 168886-97-3) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	CC1=C(C(=CC=C1)CO)Br
InChI:	InChI=1S/C8H9BrO/c1-6-3-2-4-7(5-10)8(6)9/h2-4,10H,5H2,1H3
InChI Key:	KOMJECHMWYAILT-UHFFFAOYSA-N
Boiling Point:	277.315 °C at 760 mmHg
MDL:	MFCD16659614
LogP:	2.24980

Publication Number	Title	Priority Date
WO-2021097057-A1	5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity	20191112
WO-2019074824-A1	INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS AND METHODS OF USE	20171009
US-2021221806-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20171009
EP-3664806-A1	Apelin receptor agonists and methods of use thereof	20170809
WO-2019032720-A1	APELIN RECEPTOR AGONISTS AND METHODS OF USE	20170809

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.98368
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1