CAS No.4854-84-6,4'-Aminobiphenyl-4-carbonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4854-84-6
Name:	4'-Aminobiphenyl-4-carbonitrile
Article Data:	1

Formula:	C₁₃H₁₀N₂
Molecular Weight:	194.236
Synonyms:	4-Biphenylcarbonitrile,4'-amino- (6CI,7CI,8CI);(4'-Cyanobiphenyl-4-yl)amine;4-(4-Aminophenyl)benzonitrile;4-Amino-4'-cyanobiphenyl;4'-Amino-1,1'-biphenyl-4-carbonitrile;4'-Amino-4-biphenylcarbonitrile;NSC105455;p-Amino-p'-cyanobiphenyl;
Density:	1.18 g/cm³
Melting Point:	182-186 °C
Boiling Point:	381.3 °C at 760 mmHg
Flash Point:	184.4 °C
Solubility:	Insoluble in water
Hazard Symbols:	Xn,N
Risk Codes:	20/21/22-41-50
Safety:	26-36/39-60-61
Transport Information:	UN 3077
PSA:	49.81000
LogP:	3.38868

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Specification

The IUPAC name of 4'-Aminobiphenyl-4-carbonitrile is 4-(4-aminophenyl)benzonitrile. With the CAS registry number 4854-84-6, it is also named as 4-Amino-4'-cyanobiphenyl. The product's categories are Biphenyl Derivatives; Heterocyclic Compounds; Benzonitriles (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Besides, it should be stored in sealed container in dark, cool and dry place at room temperature. In addition, its molecular formula is C₁₃H₁₀N₂ and molecular weight is 194.23.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.32; (6)ACD/BCF (pH 7.4): 22.74; (7)ACD/KOC (pH 5.5): 319.68; (8)ACD/KOC (pH 7.4): 325.65; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 59.64 cm³; (15)Molar Volume: 163.6 cm³; (16)Polarizability: 23.64×10^-24cm³; (17)Surface Tension: 58.7 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 184.4 °C; (20)Melting point: 182-186 °C; (21)Enthalpy of Vaporization: 62.95 kJ/mol; (22)Boiling Point: 381.3 °C at 760 mmHg; (23)Vapour Pressure: 5.13E-06 mmHg at 25 °C.

Preparation of 4'-Aminobiphenyl-4-carbonitrile: this chemical can be prepared by 4'-Nitro-(1,1'-biphenyl)-4-carbonitrile.

The reaction type is Zinin reduction. The yield is 95 %.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It is also risk of serious damage to the eyes. Please wear suitable protective clothing and eye / face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. It is very toxic to aquatic organisms. This material and its container must be disposed of as hazardous waste. You should avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1ccc(cc1)c2ccc(N)cc2
(2)InChI: InChI=1/C13H10N2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2
(3)InChIKey: CPJQKNUJNWPAPH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H10N2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2
(5)Std. InChIKey: CPJQKNUJNWPAPH-UHFFFAOYSA-N