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2-Bromo-4-pyridinecarboxaldehyde

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Name

2-Bromo-4-pyridinecarboxaldehyde

EINECS -0
CAS No. 118289-17-1 Density 1.683 g/cm3
PSA 29.96000 LogP 1.65660
Solubility N/A Melting Point 52-56 °C
Formula C6H4BrNO Boiling Point 272.878 °C at 760 mmHg
Molecular Weight 186.008 Flash Point 118.832 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-20/21/22-10
Molecular Structure Molecular Structure of 118289-17-1 (2-Bromo-4-pyridinecarboxaldehyde) Hazard Symbols IrritantXi,HarmfulXn,FlammableF
Synonyms

2-Bromoisonicotinaldehyde;2-Bromopyridine-4-carboxaldehyde;

Article Data 8

2-Bromo-4-pyridinecarboxaldehyde Specification

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

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