3-AMINOBIPHENYL

The (1,1'-Biphenyl)-3-amine (9CI), with the CAS registry number 2243-47-2, has the systematic name of biphenyl-3-amine. It is a kind of pale yellow oil, and belongs to the product category of Mutagenesis Research Chemicals. And the molecular formula of the chemical is C₁₂H₁₁N.

The physical properties of (1,1'-Biphenyl)-3-amine (9CI) are as following: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 37.77; (6)ACD/BCF (pH 7.4): 40.32; (7)ACD/KOC (pH 5.5): 459.58; (8)ACD/KOC (pH 7.4): 490.63; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 55.08 cm³; (15)Molar Volume: 156.9 cm³; (16)Polarizability: 21.83×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 177 °C; (20)Enthalpy of Vaporization: 58.54 kJ/mol; (21)Boiling Point: 341.7 °C at 760 mmHg; (22)Vapour Pressure: 7.89E-05 mmHg at 25°C.

Uses of (1,1'-Biphenyl)-3-amine (9CI): It can react with 4-methoxy-benzoyl chloride to produce N-biphenyl-3-yl-4-methoxy-benzamide. This reaction will need reagent pyridine. The reaction time is 8 hours with heating, and the yield is about 70%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is alos harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: c2c(c1cc(N)ccc1)cccc2
(2)InChI: InChI=1/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2
(3)InChIKey: MUNOBADFTHUUFG-UHFFFAOYAI