1-(2,4-Dichlorophenyl)ethanol - CAS 1475-13-4

Catalog:	BB010206
Product Name:	1-(2,4-Dichlorophenyl)ethanol
CAS:	1475-13-4
Synonyms:	1-(2,4-dichlorophenyl)ethanol; 1-(2,4-dichlorophenyl)ethanol

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Computed Properties

IUPAC Name:	1-(2,4-dichlorophenyl)ethanol
Description:	1-(2,4-Dichlorophenyl)ethanol (CAS# 1475-13-4) is a useful research chemical.
Molecular Weight:	191.05
Molecular Formula:	C8H8Cl2O
Canonical SMILES:	CC(C1=C(C=C(C=C1)Cl)Cl)O
InChI:	InChI=1S/C8H8Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3
InChI Key:	KWZDYNBHZMQRLS-UHFFFAOYSA-N
Boiling Point:	270.7 °C at 760 mmHg
Density:	1.323 g/cm³
Appearance:	Liquid
LogP:	3.04670

Publication Number	Title	Priority Date
KR-20200096455-A	Novel pyridine derivatives having inhibition activity against SHIP2 and pharmaceutical compositions with the components	20200803
CN-112409114-A	Method for synthesizing secondary alcohol	20190820
CN-109180418-A	A kind of propylene oxide co-production object resource utilization synthetic pesticide intermediate 2,4 dichloro benzene ethyl ketone method	20181009
CN-109180418-B	Method for synthesizing pesticide intermediate 2, 4-dichloroacetophenone by recycling propylene oxide co-product materials	20181009
KR-20200017170-A	Novel pyridine derivatives having inhibition activity against SHIP2 and pharmaceutical compositions with the components	20180808

PMID	Publication Date	Title	Journal
21580052	20091216	2,4-Dichloro-1-[1-(2,4-dichloro-benz-yl-oxy)eth-yl]benzene	Acta crystallographica. Section E, Structure reports online
12541614	20020101	[Synthesis of a new cyclodextrin derivative and its application as CGC chiral stationary phase in determination of enantiomeric excess]	Se pu = Chinese journal of chromatography

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Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9952203
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.9952203
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7