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