ChemicalBook--->CAS DataBase List--->764-42-1

764-42-1

764-42-1 Structure

764-42-1 Structure
IdentificationMore
[Name]

FUMARONITRILE
[CAS]

764-42-1
[Synonyms]

FUMARIC ACID DINITRILE
FUMARONITRILE
TRANS-1,2-DICYANOETHYLENE
(2E)-2-Butenedinitrile
(e)-1,2-dicyanoethylene
(E)-Butenedinitrile
(E)-CH(CN)CH(CN)
1,2-Dicyanotehylene
2-Butenedinitrile, (E)-
But-2-enedinitrile
Fumaric Nitrile
Fumarodinitrile
fumarsaeuredinitril
Furmaronitrile
trans-1,2-dicyanoethene
trans-2-Butenedinitrile~trans-1,2-Dicyanoethylene
FUMARONITRILE, 98+%
2-Butenedinitrile, (2E)-
trans-2-butenedinitrile
Fumaric dinitrile
[EINECS(EC#)]

212-122-3
[Molecular Formula]

C4H2N2
[MDL Number]

MFCD00001928
[Molecular Weight]

78.07
[MOL File]

764-42-1.mol
Chemical PropertiesBack Directory
[Appearance]

brown crystalline solid
[Melting point ]

93-95 °C (lit.)
[Boiling point ]

186 °C (lit.)
[density ]

1.249 g/cm3 (20 ºC)
[refractive index ]

1.4920 (589.3 nm 20℃)
[Fp ]

186°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

ethanol: soluble50 (mg/mL; colorless to yellow)
[form ]

Crystals
[color ]

White
[Stability:]

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.
[BRN ]

969245
[InChI]

InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
[InChIKey]

KYPOHTVBFVELTG-OWOJBTEDSA-N
[SMILES]

C(#N)/C=C/C#N
[CAS DataBase Reference]

764-42-1(CAS DataBase Reference)
[EPA Substance Registry System]

Fumaronitrile (764-42-1)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R23/25:Toxic by inhalation and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3439 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

LT2300000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29269090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Maleic anhydride-->Maleic acid-->Fumaric acid-->FUMARAMIDE-->Acrylonitrile-->(Triphenylphosphoranylidene)acetonitrile
[Preparation Products]

thionitrobenzoic acid-->Thiophenol-->TRIPHENYLPHOSPHINE SELENIDE-->4-Nitrothiophenol-->TRIPHENYLPHOSPHINE SULFIDE-->Thiosalicylic acid-->PENTAFLUOROTHIOPHENOL-->CHLOROSUCCINIC ACID-->L-Valine, 3-methyl-N-[(S)-(phenylmethyl)sulfinyl]-, ethyl ester
Hazard InformationBack Directory
[General Description]

Fumaronitrile appears as needles or brown crystalline solid. (NTP, 1992)
[Reactivity Profile]

FUMARONITRILE(764-42-1) can react with strong acids, strong bases, strong oxidizing agents and strong reducing agents.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data for this chemical are not available. FUMARONITRILE is probably combustible.
[Chemical Properties]

brown crystalline solid
[Uses]

Fumaronitrile(764-42-1) is useful as intermediates in the production of pharmaceuticals, industrial chemicals and various other useful compounds and as a starting monomer for polymer synthesis. It is the optimal candidate to present excellent flame-retardant effect by forming a SN-like structure after polymerization. More importantly, with the reaction of unsaturated bond, free nitrile groups are anchored in the polymer chains and the spontaneous reaction with Li anode is therefore inhibited.
[Preparation]

Fumaronitrile can be prepared from maleic anhydride in three steps.
Spectrum DetailBack Directory
[Spectrum Detail]

FUMARONITRILE(764-42-1)MS
FUMARONITRILE(764-42-1)1HNMR
FUMARONITRILE(764-42-1)13CNMR
FUMARONITRILE(764-42-1)IR1
FUMARONITRILE(764-42-1)IR2
FUMARONITRILE(764-42-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Fumaronitrile, 98%(764-42-1)
[Alfa Aesar]

Fumaronitrile, 98+%(764-42-1)
[Sigma Aldrich]

764-42-1(sigmaaldrich)
[TCI AMERICA]

Fumaronitrile,>98.0%(GC)(764-42-1)
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