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| CAS No.: | 162102-81-0 |
|---|---|
| Name: | 4-BROMOPYRIDINE-2,6-DICARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C7H4BrNO4 |
| Molecular Weight: | 246.015 |
| Synonyms: | 4-Bromo-2,6-pyridinedicarboxylicacid; |
| Density: | 1.985 g/cm3 |
| Melting Point: | 206 °C(dec.) |
| Boiling Point: | 498.3 °C at 760 mmHg |
| Flash Point: | 255.2 °C |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 87.49000 |
| LogP: | 1.24050 |
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Specification
The 2,6-Pyridinedicarboxylicacid, 4-bromo- is an organic compound with the formula C7H4BrNO4. The IUPAC name of this chemical is 4-bromopyridine-2,6-dicarboxylic acid. With the CAS registry number 162102-81-0, it is also named as 4-Bromo-2,6-pyridinedicarboxylic acid. The product's categories are Pharmacetical; API Intermediates. Besides, its molecular weight is 246.015.
Physical properties about 2,6-Pyridinedicarboxylicacid, 4-bromo- are: (1)ACD/LogP: 0.07; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 87.49 Å2; (10)Index of Refraction: 1.662; (11)Molar Refractivity: 45.89 cm3; (12)Molar Volume: 123.9 cm3; (13)Polarizability: 18.19×10-24 cm3; (14)Surface Tension: 84.9 dyne/cm; (15)Density: 1.985 g/cm3; (16)Flash Point: 255.2 °C; (17)Enthalpy of Vaporization: 80.72 kJ/mol; (18)Boiling Point: 498.3 °C at 760 mmHg; (19)Vapour Pressure: 9.49E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4BrNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
(2)InChIKey: JVCWTTKJXQPITQ-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C7H4BrNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
(4)Std. InChIKey: JVCWTTKJXQPITQ-UHFFFAOYSA-N