-
Name
2,6-DIBROMO-3,5-DIFLUOROISONICOTINIC ACID
- EINECS
- CAS No. 325461-60-7
- Article Data1
- CAS DataBase
- Density 2.33 g/cm3
- Solubility
- Melting Point
- Formula C6HBr2F2NO2
- Boiling Point 398.6 °C at 760 mmHg
- Molecular Weight 316.884
- Flash Point 194.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,6-dibromo-3,5-difluoropyridine-4-carboxylic acid;2,6-Dibromo-3,5-difluoroisonicotinic acid;
- PSA 50.19000
- LogP 2.58300
4-Pyridinecarboxylicacid, 2,6-dibromo-3,5-difluoro- Specification
The CAS register number of 4-Pyridinecarboxylicacid, 2,6-dibromo-3,5-difluoro- is 325461-60-7. It also can be called as 2,6-Dibromo-3,5-difluoroisonicotinic acid and the systematic name about this chemical is 2,6-dibromo-3,5-difluoropyridine-4-carboxylic acid. The molecular formula about this chemical is C6HBr2F2NO2 and the molecular weight is 316.88. It belongs to the Pyridines.
Physical properties about 4-Pyridinecarboxylicacid, 2,6-dibromo-3,5-difluoro- are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): -1.31; (3)ACD/LogD (pH 7.4): -1.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.19Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 46.64 cm3; (14)Molar Volume: 135.9 cm3; (15)Polarizability: 18.49x10-24cm3; (16)Surface Tension: 60.2 dyne/cm; (17)Enthalpy of Vaporization: 68.47 kJ/mol; (18)Boiling Point: 398.6 °C at 760 mmHg; (19)Vapour Pressure: 4.54E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)O)c(F)c(Br)nc1Br
(2)InChI: InChI=1/C6HBr2F2NO2/c7-4-2(9)1(6(12)13)3(10)5(8)11-4/h(H,12,13)
(3)InChIKey: QGQWDPUTSPOCDM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6HBr2F2NO2/c7-4-2(9)1(6(12)13)3(10)5(8)11-4/h(H,12,13)
(5)Std. InChIKey: QGQWDPUTSPOCDM-UHFFFAOYSA-N
Related Products
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- 4-Pyridinecarboxylicacid, 2-(4-thiomorpholinyl)-, methyl ester
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- 4-Pyridinecarboxylicacid, 2-[(methylamino)carbonyl]-, ethyl ester
- 4-Pyridinecarboxylicacid, 2-amino-3,5,6-trifluoro-, ethyl ester
- 4-Pyridinecarboxylicacid, 2-chloro-3-hydroxy-
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