Fumaronitrile - CAS 764-42-1

Catalog:	BB035574
Product Name:	Fumaronitrile
CAS:	764-42-1
Synonyms:	(E)-but-2-enedinitrile

Technical Data

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Computed Properties

IUPAC Name:	(E)-but-2-enedinitrile
Description:	Fumaronitrile (CAS# 764-42-1) is a useful research chemical.
Molecular Weight:	78.07
Molecular Formula:	C4H2N2
Canonical SMILES:	C(=CC#N)C#N
InChI:	InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
InChI Key:	KYPOHTVBFVELTG-OWOJBTEDSA-N
Boiling Point:	186 °C
Melting Point:	95-98 °C
Flash Point:	186°C
Purity:	95 %
Density:	1.041 g/cm³
Solubility:	Soluble in Benzene, Acetone, Ether, Ethanol
Appearance:	Brown crystalline solid
MDL:	MFCD00001928
LogP:	0.58976
Refractive Index:	1.4920 (589.3 nm 20°C)
Vapor Pressure:	0.19 [mmHg]

Publication Number	Title	Priority Date
CN-113299971-A	Lithium ion battery and application thereof	20210520
CN-113299972-A	Lithium ion battery and application thereof	20210520
CN-113036081-A	Electrochemical device and electronic device	20210305
CN-113013480-A	Electrochemical device and electronic device including the same	20210220
CN-112838269-A	Electrolyte solution, electrochemical device and electronic apparatus including the same	20210111

PMID	Publication Date	Title	Journal
25622337	20150501	Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study	Environmental health perspectives
22819497	20121101	Ultrabright and ultrastable near-infrared dye nanoparticles for in vitro and in vivo bioimaging	Biomaterials
22956037	20121028	η1-Allylpalladium complexes with a tridentate PNP ligand with different phosphino groups	Dalton transactions (Cambridge, England : 2003)
22168480	20120203	Intra- and intermolecular reaction selectivities of γ-substituted adamantanylidenes	The Journal of organic chemistry
21614392	20110707	Distorted fused porphyrin-phthalocyanine conjugates: synthesis and photophysics of supramolecular assembled systems with a pyridylfullerene	Physical chemistry chemical physics : PCCP

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Related Functional Groups

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[1281984-38-0]
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[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[351-28-0]
3'-Fluoroacetanilide

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P301+P310, P304+P340, P311, P321, P330, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	78.021798072
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	78.021798072
Rotatable Bond Count:	0
Topological Polar Surface Area:	47.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2