ChemicalBook--->CAS DataBase List--->4854-84-6

4854-84-6

4854-84-6 Structure

4854-84-6 Structure
IdentificationMore
[Name]

4'-Aminobiphenyl-4-carbonitrile
[CAS]

4854-84-6
[Synonyms]

4-(4-AMINOPHENYL)BENZONITRILE
4-(4-CYANOBIPHENYL)ANILINE
4'-AMINO[1,1'-BIPHENYL]-4-CARBONITRILE
4'-AMINO-4-CYANOBIPHENYL
4-AMINO-4'-CYANOBIPHENYL
4-AMINO-4'-CYANODIPHENYL
4'-AMINOBIPHENYL-4-CARBONITRILE
4-CYANO-4'-AMINOBIPHENYL
AKOS BAR-0254
SALOR-INT L300691-1EA
1’-biphenyl)-4-carbonitrile,4’-amino-(
Aminocyanobiphenyl
4-AMINO-4''-CYANOBIPHENYL 95+%
4μ-Amino-[1,1μ-biphenyl]-4-carbonitrile, 4μ-Aminobiphenyl-4-carbonitrile
[Molecular Formula]

C13H10N2
[MDL Number]

MFCD00191367
[Molecular Weight]

194.23
[MOL File]

4854-84-6.mol
Chemical PropertiesBack Directory
[Melting point ]

182-186 °C(lit.)
[Boiling point ]

320.68°C (rough estimate)
[density ]

1.1579 (rough estimate)
[refractive index ]

1.5014 (estimate)
[storage temp. ]

2-8°C, protect from light
[solubility ]

Chloroform, Methanol (Sparingly)
[Water Solubility ]

Insoluble in water
[form ]

powder to crystal
[pka]

3.78±0.10(Predicted)
[color ]

White to Amber
[InChI]

1S/C13H10N2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2
[InChIKey]

CPJQKNUJNWPAPH-UHFFFAOYSA-N
[SMILES]

Nc1ccc(cc1)-c2ccc(cc2)C#N
[CAS DataBase Reference]

4854-84-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,N
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

2
[RTECS ]

DV1763000
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Eye Dam. 1
Hazard InformationBack Directory
[Uses]

4-(4-Aminophenyl)benzonitrile is used as a reagent in the synthesis of pirinixic acid derivatives which serve as dual microsomal PGE2 synthase-1/5-lipoxygenase inhibitors. Also used as a reagent in the synthesis of novel diazepane derivatives as factor Xa inhibitors with potent anticoagulant and antithrombotic activity.
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Aminobiphenyl-4-carbonitrile(4854-84-6)MS
4'-Aminobiphenyl-4-carbonitrile(4854-84-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4854-84-6(sigmaaldrich)
[TCI AMERICA]

4-Amino-4'-cyanobiphenyl,>95.0%(GC)(4854-84-6)
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