(R)-2-Bromo-alpha-methylbenzyl Alcohol - CAS 76116-20-6

Catalog:	BB035498
Product Name:	(R)-2-Bromo-alpha-methylbenzyl Alcohol
CAS:	76116-20-6
Synonyms:	(1R)-1-(2-bromophenyl)ethanol; (1R)-1-(2-bromophenyl)ethanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1R)-1-(2-bromophenyl)ethanol
Description:	(R)-2-Bromo-alpha-methylbenzyl Alcohol (CAS# 76116-20-6) is a building block used in the preparation of trifluoromethylated isoxazoles.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	CC(C1=CC=CC=C1Br)O
InChI:	InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1
InChI Key:	DZLZSFZSPIUINR-ZCFIWIBFSA-N
Boiling Point:	243.5 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.47 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD00216591
LogP:	2.50240

Publication Number	Title	Priority Date
TW-201908310-A	Compound	20170511
WO-2018205948-A1	Compounds	20170511
EP-3062827-A1	Radioligands for imaging the lpa-1 receptor	20131031
US-2016256577-A1	Radioligands for imaging the lpa-1 receptor	20131031
US-9987381-B2	Radioligands for imaging the LPA-1 receptor	20131031

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Related Functional Groups

Alcohols and Derivatives

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[1251261-18-3]
3-Amino-2-(cyclohexylmethyl)-1-propanol
[189449-41-0]
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[1468-95-7]
9-Anthracenemethanol
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1-Aminocyclopropanemethanol Hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1