2-Isoxazol-4-ylethanol - CAS 884504-75-0

Catalog:	BB038884
Product Name:	2-Isoxazol-4-ylethanol
CAS:	884504-75-0
Synonyms:	2-(1,2-oxazol-4-yl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(1,2-oxazol-4-yl)ethanol
Description:	2-Isoxazol-4-ylethanol (CAS# 884504-75-0) is a useful research chemical.
Molecular Weight:	113.11
Molecular Formula:	C5H7NO2
Canonical SMILES:	C1=C(C=NO1)CCO
InChI:	InChI=1S/C5H7NO2/c7-2-1-5-3-6-8-4-5/h3-4,7H,1-2H2
InChI Key:	XMWWZXCFAPIODA-UHFFFAOYSA-N
Boiling Point:	235.4 °C at 760 mmHg
Purity:	95 %
Density:	1.18 g/cm³
LogP:	0.20940

Publication Number	Title	Priority Date
US-10144742-B2	Quinoxaline compounds and uses thereof	20140418
US-2017174704-A1	Quinoxaline compounds and uses thereof	20140418
WO-2015161142-A1	Quinoxaline compounds and uses thereof	20140418
EP-2734516-A1	Arylpyrazole ethers as inhibitors of leukotriene a4 hydrolase	20110719
WO-2013012844-A1	Arylpyrazole ethers as inhibitors of leukotriene a4 hydrolase	20110719

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Related Functional Groups

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[712347-12-1]
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[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[326829-08-7]
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[1356543-58-2]
Ethyl 3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-5-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	67.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.047678466
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.047678466
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1