[1,1'-Biphenyl]-2-carboxaldehyde (1203-68-5)

The 2-Biphenylcarboxaldehyde with the cas number 1203-68-5 is also called 2-Formyl-1,1'-biphenyl. The IUPAC name is 2-phenylbenzaldehyde. Its molecular formula is C₁₃H₁₀O. This chemical belongs to the following product categories: (1)Biphenyls; (2)Aldehydes; (3)C10 to C21; (4)Carbonyl Compounds.

The properties of the chemical are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 133.43; (6)ACD/BCF (pH 7.4): 133.43; (7)ACD/KOC (pH 5.5): 1155.74; (8)ACD/KOC (pH 7.4): 1155.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 57.59 cm³; (15)Molar Volume: 166.3 cm³; (16)Polarizability: 22.83×10^-24cm³; (17)Surface Tension: 42.8 dyne/cm; (18)Enthalpy of Vaporization: 57.51 kJ/mol; (19)Vapour Pressure: 0.000146 mmHg at 25°C.

Preparation: This chemical can be prepared by N-benzenesulfonyl-N'-(biphenyl-2-carbonyl)-hydrazine. This reaction needs reagent Na₂CO₃ and ethylene glycol.

Uses: This chemical can react with 1-aza-bicyclo[2.2.2]octan-3-one to product (Z)-2-(2-phenylbenzylidene)-3-quinuclidinone. This reaction needs reagent sodium hydroxyde and solvent ethanol.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccccc2c1ccccc1
(2)InChI: InChI=1/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H
(3)InChIKey: LCRCBXLHWTVPEQ-UHFFFAOYAM

The toxicity data is as follows: