4-Hydroxy-3-methoxybenzonitrile - CAS 4421-08-3

Catalog:	BB025543
Product Name:	4-Hydroxy-3-methoxybenzonitrile
CAS:	4421-08-3
Synonyms:	4-hydroxy-3-methoxybenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-hydroxy-3-methoxybenzonitrile
Description:	4-Hydroxy-3-methoxybenzonitrile (CAS# 4421-08-3) is a useful research chemical.
Molecular Weight:	149.15
Molecular Formula:	C8H7NO2
Canonical SMILES:	COC1=C(C=CC(=C1)C#N)O
InChI:	InChI=1S/C8H7NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,1H3
InChI Key:	QJRWLNLUIAJTAD-UHFFFAOYSA-N
Boiling Point:	291.6 °C at 760 mmHg
Melting Point:	85-89 °C
Purity:	95 %
Density:	1.24 g/cm³
Appearance:	Beige crystalline powder
MDL:	MFCD00001820
LogP:	1.27248

Publication Number	Title	Priority Date
CN-113121386-A	Method for producing 3, 4-dihydroxybenzonitrile	20210311
CN-111620764-A	Selective ether bond breaking method of aryl alkyl ether	20200324
WO-2021170109-A1	Tropomyosin receptor kinase (trk) degradation compounds and methods of use	20200226
CN-111825829-A	Triazine ring structure-containing bio-based epoxy resin and preparation method thereof	20200107
WO-2021127452-A1	Compounds for the treatment of bacterial infections and potentiation of antibiotics	20191219

PMID	Publication Date	Title	Journal
22414048	20120313	Anti-inflammatory effects of methoxyphenolic compounds on human airway cells	Journal of inflammation (London, England)
17544376	20070801	The reactivity of ortho-methoxy-substituted catechol radicals with sulfhydryl groups: contribution for the comprehension of the mechanism of inhibition of NADPH oxidase by apocynin	Biochemical pharmacology
15702644	20050401	Naravelia zeylanica [corrected] occurrence of primary benzamides in flowering plants	Natural product research

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GHS Hazard Statement:	H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.047678466
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5