1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol - CAS 24155-42-8

Name: 1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018344
Product Name:	1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol
CAS:	24155-42-8
Synonyms:	1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethanol; 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol

Technical Data

IUPAC Name:	1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
Description:	rac-1-(2,4-Dichlorophenyl)-2-(1-imidazolyl)ethanol is an intermediate in the preparation of Miconazole. It is an impurity in the synthesis of Fenticonazole. It is also an impurity in the synthesis of Ketoconazole.
Molecular Weight:	257.12
Molecular Formula:	C11H10Cl2N2O
Canonical SMILES:	C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O
InChI:	InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChI Key:	UKVLTPAGJIYSGN-UHFFFAOYSA-N
Boiling Point:	468.5 °C at 760 mmHg
Melting Point:	134-137 °C
Purity:	> 95 %
Density:	1.39 g/cm³
Appearance:	White to pale yellow solid
LogP:	2.92350

GHS Hazard Statement:	H302 (91.53%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
19569104	20090701	Use of ultra-high-pressure liquid chromatography-quadrupole time-of-flight MS to discover the presence of pesticide metabolites in food samples	Journal of separation science
12749200	20030201	[Analysis of imazalil and its major metabolite in citrus fruits by GC-FTD]	Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.0170183
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	256.0170183
Rotatable Bond Count:	3
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6