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CAS No.: | 55304-83-1 |
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Name: | 2,6-Dibromopyridine-3-carboxaldehyde |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H3Br2NO |
Molecular Weight: | 264.904 |
Synonyms: | 2,6-Dibromopyridine-3-carboxaldehyde;2,6-Dibromonicotinaldehyde; |
Density: | 2.09 g/cm3 |
Boiling Point: | 331.6 °C at 760 mmHg |
Flash Point: | 154.3 °C |
PSA: | 29.96000 |
LogP: | 2.41910 |
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The 3-Pyridinecarboxaldehyde, 2,6-dibromo-, with the CAS registry number 55304-83-1, is also known as 2,6-Dibromonicotinaldehyde. This chemical's molecular formula is C6H3Br2NO and molecular weight is 264.9. What's more, its systematic name is 2,6-dibromopyridine-3-carbaldehyde.
Physical properties of 3-Pyridinecarboxaldehyde, 2,6-dibromo- are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 34.66; (6)ACD/BCF (pH 7.4): 34.66; (7)ACD/KOC (pH 5.5): 440.34; (8)ACD/KOC (pH 7.4): 440.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.654 ; (14)Molar Refractivity: 46.47 cm3; (15)Molar Volume: 126.6 cm3; (16)Polarizability: 18.42×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 2.09 g/cm3; (19)Flash Point: 154.3 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 331.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000154 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(Br)nc1Br
(2)InChI: InChI=1S/C6H3Br2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
(3)InChIKey: GSFFLGODLKMVMT-UHFFFAOYSA-N