ChemicalBook--->CAS DataBase List--->1557-59-1

1557-59-1

1557-59-1 Structure

1557-59-1 Structure
IdentificationBack Directory
[Name]

CIS,CIS-MUCONONITRILE
[CAS]

1557-59-1
[Synonyms]

CIS,CIS-MUCONONITRILE
cis,cis-Mucononitrile 98%
(Z,Z)-2,4-Hexadienedinitrile
(2Z,4Z)-2,4-Hexadienedinitrile
2,4-Hexadienedinitrile, (2Z,4Z)-
(1Z,3Z)-1,4-Dicyano-1,3-butadiene
(1Z,3Z)-1,3-Butadiene-1,4-dicarbonitrile
cis,cis-Mucononitrile((1Z,3Z)-1,3-Butadiene-1,4-dicarbonitrile)
[Molecular Formula]

C6H4N2
[MDL Number]

MFCD00075424
[MOL File]

1557-59-1.mol
[Molecular Weight]

104.11
Chemical PropertiesBack Directory
[Melting point ]

128-131 °C(lit.)
[InChI]

1S/C6H4N2/c7-5-3-1-2-4-6-8/h1-4H/b3-1-,4-2-
[InChIKey]

QLQYLCRMTTXKHS-CCAGOZQPSA-N
[SMILES]

[H]\C(C#N)=C([H])\C([H])=C(\[H])C#N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

cis,cis-Mucononitrile may be used in chemical synthesis.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 87, p. 1147, 1965 DOI: 10.1021/ja01083a047
[General Description]

cis,cis-Mucononitrile (Z,Z-2,4-hexadienedinitrile) can be prepared by the copper-catalyzed oxidation of o-phenylenediamine. 13C MAS NMR spectra of cis,cis-mucononitrile oriented in liquid-crystalline media has been studied. Pt-catalyzed addition of diethylphosphine to cis,cis-mucononitrile yields the new diphosphine, Et2PCH(CN)CH(CH2CH2CN)PEt2.
Spectrum DetailBack Directory
[Spectrum Detail]

CIS,CIS-MUCONONITRILE(1557-59-1)1HNMR
CIS,CIS-MUCONONITRILE(1557-59-1)IR1
CIS,CIS-MUCONONITRILE(1557-59-1)Raman
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