4-BIPHENYLCARBOXAMIDE

The [1,1'-Biphenyl]-4-carboxamide is an organic compound with the formula C₁₃H₁₁NO. The IUPAC name of this chemical is 4-phenylbenzamide. With the CAS registry number 3815-20-1, it is also named as biphenyl-4-carboxamide. The product's categories are Biphenyls; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Biphenyl & Diphenyl ether. Besides, it is a cream colored powder, which should be stored in a dark closed and well-ventilated place.

Physical properties about [1,1'-Biphenyl]-4-carboxamide are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 2.93; (3)ACD/LogD (pH 7.4): 2.93; (4)ACD/BCF (pH 5.5): 98.74; (5)ACD/BCF (pH 7.4): 98.74; (6)ACD/KOC (pH 5.5): 931.66; (7)ACD/KOC (pH 7.4): 931.66; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 59.77 cm³; (14)Molar Volume: 173.4 cm³; (15)Polarizability: 23.69×10^-24cm³; (16)Surface Tension: 47.4 dyne/cm; (17)Density: 1.137 g/cm³; (18)Flash Point: 184.5 °C; (19)Enthalpy of Vaporization: 62.97 kJ/mol; (20)Boiling Point: 381.4 °C at 760 mmHg; (21)Vapour Pressure: 5.09E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-nitro-biphenyl. This reaction will need reagent Hydrazine hydrate (80 percent), catalyst Raney nickel and solvent ethanol. The reaction temperature is 30 - 40 °C. The yield is about 86%.

 

Uses of [1,1'-Biphenyl]-4-carboxamide: it can be used to produce biphenyl-4-carbonitrile by heating. It will need reagent Thionyl chloride with reaction time of 6 hours. The yield is about 59%.

 

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves, do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(c1ccccc1)cc2)N
(2)InChI: InChI=1/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)
(3)InChIKey: LUQVCHRDAGWYMG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H11NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,14,15)
(5)Std. InChIKey: LUQVCHRDAGWYMG-UHFFFAOYSA-N