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Name |
2,5-Dibromonicotinaldehyde |
EINECS | N/A |
CAS No. | 852181-11-4 | Density | 2.09 g/cm3 |
PSA | 29.96000 | LogP | 2.41910 |
Solubility | N/A | Melting Point |
76 °C |
Formula | C6H3Br2NO | Boiling Point | 302.4 °C at 760 mmHg |
Molecular Weight | 264.904 | Flash Point | 136.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Dibromopyridine-3-carboxaldehyde;3-Pyridinecarboxaldehyde, 2,5-dibromo-; |
Article Data | 2 |
The CAS register number of 2,5-Dibromonicotinaldehyde is 852181-11-4. It also can be called as 3-Pyridinecarboxaldehyde, 2,5-dibromo- and the systematic name about this chemical is 2,5-dibromopyridine-3-carbaldehyde. The molecular formula about this chemical is C6H3Br2NO and the molecular weight is 264.90.
Physical properties about 2,5-Dibromonicotinaldehyde are: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 2.14; (4)ACD/BCF (pH 5.5): 25.1; (5)ACD/BCF (pH 7.4): 25.1; (6)ACD/KOC (pH 5.5): 349.56; (7)ACD/KOC (pH 7.4): 349.56; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96Å2; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 46.47 cm3; (13)Molar Volume: 126.6 cm3; (14)Polarizability: 18.42x10-24cm3; (15)Surface Tension: 56.5 dyne/cm; (16)Enthalpy of Vaporization: 54.26 kJ/mol; (17)Boiling Point: 302.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000994 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(Br)cnc1Br
(2)InChI: InChI=1/C6H3Br2NO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
(3)InChIKey: HBMNFJYZMBEHNY-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H3Br2NO/c7-5-1-4(3-10)6(8)9-2-5/h1-3H
(5)Std. InChIKey: HBMNFJYZMBEHNY-UHFFFAOYSA-N