(R)-4-Chloro-alpha-methylbenzyl Alcohol - CAS 75968-40-0

Catalog:	BB035452
Product Name:	(R)-4-Chloro-alpha-methylbenzyl Alcohol
CAS:	75968-40-0
Synonyms:	(1R)-1-(4-chlorophenyl)ethanol; (1R)-1-(4-chlorophenyl)ethanol

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Computed Properties

IUPAC Name:	(1R)-1-(4-chlorophenyl)ethanol
Description:	(R)-4-Chloro-alpha-methylbenzyl Alcohol (CAS# 75968-40-0) is a useful research chemical.
Molecular Weight:	156.61
Molecular Formula:	C8H9ClO
Canonical SMILES:	CC(C1=CC=C(C=C1)Cl)O
InChI:	InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m1/s1
InChI Key:	MVOSNPUNXINWAD-ZCFIWIBFSA-N
Boiling Point:	240.6 °C at 760 mmHg
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	1.158 g/cm³
MDL:	MFCD06797295
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
CN-110582485-A	Pyrazole derivatives as bromodomain inhibitors	20170301
EP-3589618-A1	Pyrazole derivatives as bromodomain inhibitors	20170301
JP-2020509033-A	Pyrazole derivatives as bromodomain inhibitors	20170301
KR-20190123307-A	Pyrazole Derivatives as Bromodomain Inhibitors	20170301

PMID	Publication Date	Title	Journal
21866703	20110601	[Broader substrate specifity of Candida parapsilosis SCR II for catalyzing acetophenone derivatives by site-directed mutagenesis]	Wei sheng wu xue bao = Acta microbiologica Sinica
16413078	20060625	Water immiscible ionic liquids as solvents for whole cell biocatalysis	Journal of biotechnology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	97.4
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