Fumaronitrile

Base Information

Chemical Name:Fumaronitrile
CAS No.:764-42-1
Molecular Formula:C4H2N2
Molecular Weight:78.0733
Hs Code.:29269090
European Community (EC) Number:212-122-3
NSC Number:17555
UN Number:3439
DSSTox Substance ID:DTXSID7025342
Nikkaji Number:J35.154G,J707.802A
Wikidata:Q72468576
ChEMBL ID:CHEMBL1451833
Mol file:764-42-1.mol

Synonyms:fumarodinitrile;fumaronitrile

Suppliers and Price of Fumaronitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Fumaronitrile
500mg
$ 75.00

TCI Chemical
Fumaronitrile >98.0%(GC)
5g
$ 55.00

TCI Chemical
Fumaronitrile >98.0%(GC)
25g
$ 170.00

Sigma-Aldrich
Fumaronitrile 98%
5g
$ 69.40

Sigma-Aldrich
Fumaronitrile 98%
25g
$ 165.00

Matrix Scientific
Fumaronitrile 95%+
100g
$ 395.00

Matrix Scientific
Fumaronitrile 95%+
25g
$ 145.00

Frontier Specialty Chemicals
Fumaronitrile 98%
1g
$ 19.00

Crysdot
Fumaronitrile 97%
100g
$ 298.00

American Custom Chemicals Corporation
FUMARONITRILE 95.00%
10G
$ 1309.78

Total 44 raw suppliers

Chemical Property of Fumaronitrile

Chemical Property:

Appearance/Colour:brown crystalline solid
Vapor Pressure:0.635mmHg at 25°C
Melting Point:93-95 °C(lit.)
Refractive Index:1.4920 (589.3 nm 20℃)
Boiling Point:187.3 °C at 760 mmHg
Flash Point:82.6 °C
PSA：47.58000
Density:1.041 g/cm³
LogP:0.58976
Storage Temp.:2-8°C
Solubility.:ethanol: soluble50 (mg/mL; colorless to yellow)
XLogP3:-0.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:78.021798072
Heavy Atom Count:6
Complexity:119
Transport DOT Label:Poison

Purity/Quality:

97% ^*data from raw suppliers

Fumaronitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 23/25
Safety Statements: 36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:C(=CC#N)C#N
Isomeric SMILES:C(=C/C#N)\C#N

Technology Process of Fumaronitrile

There total 70 articles about Fumaronitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

: 16640-68-9
cyanomethylene triphenylphosphorane

: 3878-45-3
triphenylphosphine sulfide

: 764-42-1
1,2-Dicyanoethylene

Guidance literature:: With sulfur; In toluene; for 3h; Heating;
DOI:10.1246/bcsj.61.4323

Reference yield: 64.0%

: 107-13-1,25014-41-9
acrylonitrile

: 764-42-1
1,2-Dicyanoethylene

Guidance literature:: With 1-ethenyl-4-methylbenzene; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; Grubbs-type ruthenium; at 50 ℃; for 12h;
DOI:10.1016/j.tetlet.2006.02.114