(Ethoxymethylene)malononitrile - CAS 123-06-8

Name: (Ethoxymethylene)malononitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005624
Product Name:	(Ethoxymethylene)malononitrile
CAS:	123-06-8
Synonyms:	2-(ethoxymethylidene)propanedinitrile

Technical Data

IUPAC Name:	2-(ethoxymethylidene)propanedinitrile
Description:	(Ethoxymethylene)malononitrile (CAS# 123-06-8) is a compound useful in organic synthesis.
Molecular Weight:	122.12
Molecular Formula:	C6H6N2O
Canonical SMILES:	CCOC=C(C#N)C#N
InChI:	InChI=1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3
InChI Key:	OEICGMPRFOJHKO-UHFFFAOYSA-N
Boiling Point:	160 °C (12 mmHg)
Melting Point:	63-69 °C
Purity:	95 %
Density:	1.07 g/cm³
Appearance:	Off white to pale yellow
Storage:	Store in a tightly closed container. Store in a cool, dry area away from incompatible substances.
MDL:	MFCD00001854
LogP:	0.95396

GHS Hazard Statement:	H301 (20.75%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P285, P301+P310, P301+P312, P302+P352, P304+P341, P312, P321, P322, P330, P333+P313, P342+P311, P361, P363, P405, and P501
Signal Word:	Danger

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CN-112133961-A	Gel electrolyte precursor and application thereof	20200918
CN-111393324-A	Novel synthesis process of ethoxymethylene malononitrile	20200427

PMID	Publication Date	Title	Journal
22737103	20120501	tert-Butyl 6-amino-5-cyano-2-(2-meth-oxy-eth-yl)nicotinate	Acta crystallographica. Section E, Structure reports online
21698101	20110101	Design, synthesis and characterization of a highly effective inhibitor for analog-sensitive (as) kinases	PloS one
21179366	20100101	Studies on the reactivity of (9-Methyl-5,6-dihydronaphtho[1â,2â:4,5]-thieno[2,3-d]pyrimidin-11-yl)hydrazine towards some reagents for biological evaluation	Scientia pharmaceutica
19678532	20090501	Anti-hepatitis B virus activity of new N4-beta-D-glycoside Pyrazolo [3,4-d]pyrimidine derivatives	Zeitschrift fur Naturforschung. C, Journal of biosciences
19340836	20090401	Immunomodulatory and anticancer activities of some novel 2-substituted-6-bromo-3-methylthiazolo[3,2-a]benzimidazole derivatives	Archiv der Pharmazie

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.048012819
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.048012819
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5