| Identification | More | [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 Properties | Back Directory | [Melting point ]
236-240 °C(lit.)
| [Boiling point ]
332.72°C (rough estimate) | [density ]
1.1974 (rough estimate) | [refractive index ]
1.6152 (estimate) | [storage temp. ]
Store at room temperature | [form ]
Solid | [color ]
White to Amber | [Water Solubility ]
Insoluble in water. | [BRN ]
1869917 | [InChI]
InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H | [InChIKey]
KAXYYLCSSXFXKR-UHFFFAOYSA-N | [SMILES]
C1(C2=CC=C(C#N)C=C2)=CC=C(C#N)C=C1 | [CAS DataBase Reference]
1591-30-6(CAS DataBase Reference) | [EPA Substance Registry System]
[1,1'-Biphenyl]-4,4'-dicarbonitrile (1591-30-6) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332 | [Precautionary statements ]
P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 | [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 | [HS Code ]
2926907090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral | [Toxicity]
LD50 ipr-mus: 75 mg/kg NTIS** AD691-490 |
| Hazard Information | Back 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-. |
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