2-CHLORO-5-PHENYLPYRIDINE-3-CARBOXALDEH&

The 3-Pyridinecarboxaldehyde,2-chloro-5-phenyl-, with the CAS registry number 176433-57-1, is also known as 2-Chloro-5-phenylnicotinaldehyde. It belongs to the product categories of C9 to C46 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C₁₂H₈ClNO and molecular weight is 217.651. What's more, its systematic name is called 2-Chloro-5-phenylpyridine-3-carbaldehyde.

Physical properties about 3-Pyridinecarboxaldehyde,2-chloro-5-phenyl- 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): 134.33; (6)ACD/BCF (pH 7.4): 134.33; (7)ACD/KOC (pH 5.5): 1161.32; (8)ACD/KOC (pH 7.4): 1161.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 60.58 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 24.01×10^-24 cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.268 g/cm³; (19)Flash Point: 182.2 °C; (20)Enthalpy of Vaporization: 62.55 kJ/mol; (21)Boiling Point: 377.7 °C at 760 mmHg; (22)Vapour Pressure: 6.62E-06 mmHg at 25 °C; (23)Melting Point: 91-98 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. Therefore, you should wear suitable eye/face protection. In case of contacting 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=Cc1cc(cnc1Cl)c2ccccc2
(2) InChI: InChI=1/C12H8ClNO/c13-12-11(8-15)6-10(7-14-12)9-4-2-1-3-5-9/h1-8H
(3) InChIKey: QBFNWWRKCSBZHD-UHFFFAOYAP