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ChemicalBook--->CAS DataBase List--->1591-30-6

1591-30-6

1591-30-6 Structure

1591-30-6 Structure
IdentificationMore
[Name]

4,4'-BIPHENYLDICARBONITRILE
[CAS]

1591-30-6
[Synonyms]

4,4'-BIBENZONITRILE
4,4'-BICYANODIPHENYL
4,4'-BIPHENYLDICARBONITRILE
4,4'-BISBENZONITRILE
4,4'-DIBENZONITRILE
4,4'-DICYANOBIPHENYL
4,4'-DIPHENYLDICARBONITRILE
BIPHENYL-4,4'-DICARBONITRILE
SALOR-INT L133787-1EA
TIMTEC-BB SBB008455
[1,1'-Biphenyl]-4,4'-dicarbonitrile
4,4'-Dicyanodiphenyl
4 4-DIPHENYLDICARBONITRILE 95%
4'-Cyanobiphenyl-4-carbonitrile
[EINECS(EC#)]

216-468-6
[Molecular Formula]

C14H8N2
[MDL Number]

MFCD00013805
[Molecular Weight]

204.23
[MOL File]

1591-30-6.mol
Chemical PropertiesBack Directory
[Melting point ]

236-240 °C(lit.)
[Boiling point ]

332.72°C (rough estimate)
[density ]

1.1974 (rough estimate)
[refractive index ]

1.6152 (estimate)
[form ]

Solid
[Water Solubility ]

Insoluble in water.
[BRN ]

1869917
[CAS DataBase Reference]

1591-30-6(CAS DataBase Reference)
[EPA Substance Registry System]

Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

3276
[WGK Germany ]

3
[RTECS ]

DV2625000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[Toxicity]

LD50 ipr-mus: 75 mg/kg NTIS** AD691-490
Hazard InformationBack Directory
[Uses]

Biphenyl-4,4'-dicarbonitrile is used as a pharmaceutical intermediate.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 51, p. 2627, 1986 DOI: 10.1021/jo00364a002
Tetrahedron, 28, p. 5081, 1972 DOI: 10.1016/0040-4020(72)88161-4
Tetrahedron Letters, 23, p. 4215, 1982 DOI: 10.1016/S0040-4039(00)88707-9
[General Description]

4,4′-Biphenyldicarbonitrile (BPCN), also known as 4,4′-dicyanobiphenyl, is a para-disubstituted biphenyl. It can be prepared from benzidine dihydrochloride.3 BPCN belongs to the monoclinic crystal system and P21 space group.
[Safety Profile]

Poison by intraperitoneal route. When heated to decomposition itemits toxic fumes of NOx and CN-.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-BIPHENYLDICARBONITRILE(1591-30-6)MS
4,4'-BIPHENYLDICARBONITRILE(1591-30-6)1HNMR
4,4'-BIPHENYLDICARBONITRILE(1591-30-6)13CNMR
4,4'-BIPHENYLDICARBONITRILE(1591-30-6)IR1
4,4'-BIPHENYLDICARBONITRILE(1591-30-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

[Sigma Aldrich]

1591-30-6(sigmaaldrich)
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