4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde (98648-23-8)

The 4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde, with the CAS registry number 98648-23-8, is also known as 4-(4-Nitrophenyl)benzaldehyde and [1,1'-Biphenyl]-4-carboxaldehyde,4'-nitro-. This chemical's molecular formula is C₁₃H₉NO₃ and molecular weight is 227.22. What's more, its IUPAC name is 4-(4-Nitrophenyl)benzaldehyde and systematic name is called 4'-Nitrobiphenyl-4-carbaldehyde.

Physical properties about this chemical are: (1) ACD/LogP: 3.44; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.44; (4) ACD/LogD (pH 7.4): 3.44; (5) ACD/BCF (pH 5.5): 243.88; (6) ACD/BCF (pH 7.4): 243.88; (7) ACD/KOC (pH 5.5): 1779.68; (8) ACD/KOC (pH 7.4): 1779.68; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 62.89 Å²; (13) Index of Refraction: 1.639; (14) Molar Refractivity: 64.14 cm³; (15) Molar Volume: 178.2 cm³; (16) Surface Tension: 53.1 dyne/cm; (17) Density: 1.274 g/cm³; (18) Flash Point: 200.6 °C; (19) Enthalpy of Vaporization: 65.64 kJ/mol; (20) Boiling Point: 404.9 °C at 760 mmHg; (21) Vapour Pressure: 9.15E-07 mmHg at 25 °C; (22) Melting Point: 117-120 °C.

When you are dealing with the 4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(c1ccc(C=O)cc1)cc2
(2) InChI: InChI=1/C13H9NO3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-9H
(3) InChIKey: MGHIIGWDUVNPPV-UHFFFAOYAS