2-Bromo-4-pyridinecarboxaldehyde

The 2-Bromo-4-pyridinecarboxaldehyde is an organic compound with the formula C₆H₄BrNO. The IUPAC name of this chemical is 2-bromopyridine-4-carbaldehyde. With the CAS registry number 118289-17-1, it is also named as 4-Pyridinecarboxaldehyde, 2-bromo-. The product's categories are Pharmacetical; Pyridine Series; Aldehydes; Pyridines; Pyridine; Aldehyde; Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about 2-Bromo-4-pyridinecarboxaldehyde are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.736; (3)ACD/LogD (pH 7.4): 1.736; (4)ACD/BCF (pH 5.5): 12.292; (5)ACD/BCF (pH 7.4): 12.292; (6)ACD/KOC (pH 5.5): 209.692; (7)ACD/KOC (pH 7.4): 209.692; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å²; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 38.787 cm³; (13)Molar Volume: 110.508 cm³; (14)Polarizability: 15.376×10^-24cm³; (15)Surface Tension: 52.157 dyne/cm; (16)Density: 1.683 g/cm³; (17)Flash Point: 118.832 °C; (18)Enthalpy of Vaporization: 51.119 kJ/mol; (19)Boiling Point: 272.878 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(cc1C=O)Br
(2)InChI: InChI=1/C6H4BrNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
(3)InChIKey: RTWLIQFKXMWEJY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H4BrNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
(5)Std. InChIKey: RTWLIQFKXMWEJY-UHFFFAOYSA-N