ChemicalBook--->CAS DataBase List--->1119-85-3

1119-85-3

1119-85-3 Structure

1119-85-3 Structure
IdentificationMore
[Name]

1,4-DICYANO-2-BUTENE
[CAS]

1119-85-3
[Synonyms]

1,4-DICYANO-2-BUTENE
1,4-DICYANO BUTENE-2
3-HEXENEDINITRILE
3-HEXENE DIOIC ACID DINITRILE
DIHYDROMUCONONITRILE
hex-3-enedinitrile
2-Butene-1,4-dicarbonitrile
TRANS-1,4-DICYANO-2-BUTENE
dihydromuconitrile
trans-3-hexenedinitrile
1,4-DICYANO-2-BUTENE 97%
trans-1,4-Dicyano-2-butene, Dihydromucononitrile
3-Hexene-1,6-dinitrile
[EINECS(EC#)]

214-287-7
[Molecular Formula]

C6H6N2
[MDL Number]

MFCD00001964
[Molecular Weight]

106.13
[MOL File]

1119-85-3.mol
Chemical PropertiesBack Directory
[Appearance]

beige to light brown crystalline solid
[Melting point ]

74-79 °C
[Boiling point ]

120 °C / 0.7mmHg
[density ]

0.9964 (rough estimate)
[refractive index ]

1.5400 (estimate)
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Almost white
[BRN ]

1720228
[InChI]

InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2
[InChIKey]

BSVZXPLUMFUWHW-OWOJBTEDSA-N
[SMILES]

C(#N)CC=CCC#N
[CAS DataBase Reference]

1119-85-3(CAS DataBase Reference)
[EPA Substance Registry System]

3-Hexenedinitrile (1119-85-3)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3439
[WGK Germany ]

3
[RTECS ]

MP6750000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
[Hazardous Substances Data]

1119-85-3(Hazardous Substances Data)
Hazard InformationBack Directory
[Chemical Properties]

beige to light brown crystalline solid
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 36, p. 2898, 1971 DOI: 10.1021/jo00818a043
Questions And AnswerBack Directory
[Application]

1,4-Dicyano-2-butene can be used as an organic synthesis intermediate and a pharmaceutical intermediate, mainly in laboratory research and development processes and chemical production processes.
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-DICYANO-2-BUTENE(1119-85-3)MS
1,4-DICYANO-2-BUTENE(1119-85-3)1HNMR
1,4-DICYANO-2-BUTENE(1119-85-3)13CNMR
1,4-DICYANO-2-BUTENE(1119-85-3)IR1
1,4-DICYANO-2-BUTENE(1119-85-3)IR2
1,4-DICYANO-2-BUTENE(1119-85-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,4-Dicyano-2-butene, 97%(1119-85-3)
[Alfa Aesar]

1,4-Dicyano-2-butene, 97%(1119-85-3)
[Sigma Aldrich]

1119-85-3(sigmaaldrich)
[TCI AMERICA]

3-Hexenedinitrile,>98.0%(GC)(1119-85-3)
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