4-Methylphenoxyacetonitrile - CAS 33901-44-9

Catalog:	BB021891
Product Name:	4-Methylphenoxyacetonitrile
CAS:	33901-44-9
Synonyms:	2-(4-methylphenoxy)acetonitrile; 2-(4-methylphenoxy)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methylphenoxy)acetonitrile
Description:	4-Methylphenoxyacetonitrile (CAS# 33901-44-9) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	CC1=CC=C(C=C1)OCC#N
InChI:	InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3
InChI Key:	GOCOKJDTFHEYKP-UHFFFAOYSA-N
Boiling Point:	76-78 °C 11 mmHg
Density:	1.054 g/cm³
Solubility:	Insoluble
MDL:	MFCD00068121
LogP:	1.89738

Publication Number	Title	Priority Date
WO-2021011722-A1	Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto	20190717
WO-2019068935-A1	BLUE GLYING (BBG) COLOR DERIVATIVES AND COLORING COMPOUNDS COMPRISING THEM FOR SELECTIVELY COLORING BIOLOGICAL SUBSTRATES	20171006
EP-3692101-A1	Brilliant blue (bbg) dye derivatives and staining compositions comprising the same for selectively staining biological substrates	20171006
US-2020172486-A1	Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients	20170608
WO-2013080222-A1	Substituted pyridine derivatives as fabi inhibitors	20111202

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Related Functional Groups

Nitrogen Compounds

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[102388-00-1]
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1-Benzofuran-3-carbonitrile

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

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	33 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2