(R)-2-Chloro-alpha-methylbenzyl Alcohol - CAS 120466-66-2

Catalog:	BB004879
Product Name:	(R)-2-Chloro-alpha-methylbenzyl Alcohol
CAS:	120466-66-2
Synonyms:	(1R)-1-(2-chlorophenyl)ethanol; (1R)-1-(2-chlorophenyl)ethanol

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Computed Properties

IUPAC Name:	(1R)-1-(2-chlorophenyl)ethanol
Description:	(R)-2-Chloro-alpha-methylbenzyl Alcohol (CAS# 120466-66-2) is a useful research chemical.
Molecular Weight:	156.61
Molecular Formula:	C8H9ClO
Canonical SMILES:	CC(C1=CC=CC=C1Cl)O
InChI:	InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m1/s1
InChI Key:	DDUBOVLGCYUYFX-ZCFIWIBFSA-N
Boiling Point:	231.417 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.182 g/cm³
MDL:	MFCD06659510
LogP:	2.39330

Publication Number	Title	Priority Date
WO-2021177287-A1	Catalyst containing activated carbon on which ruthenium complex is adsorbed, and method for producing reduction product using same	20200303
US-2021171500-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2021097039-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2021020429-A1	Urea compound for antagonizing lpa1 receptor	20190730
CN-110129382-B	Method for catalytic synthesis of chiral ortho-halogenated-alpha-phenylethyl alcohol by carbonyl reductase	20190123

PMID	Publication Date	Title	Journal
15966323	20030301	[Saccharomyces cerevisiae B5 efficiently and stereoselectively reduces 2'-chloroacetophenone to R-2'-chloro-1-phenylethanol in the presence of 5% ethanol]	Sheng wu gong cheng xue bao = Chinese journal of biotechnology

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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:	156.0341926
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.0341926
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1