4,6-Difluoronicotinic acid supplier

Name
4,6-Difluoronicotinic acid
EINECS
CAS No. 849937-91-3
Density 1.535 g/cm³
Solubility
Melting Point 99-101 °C (decomp)(Solv: toluene (108-88-3))
Formula C₆H₃F₂NO₂
Boiling Point 291 °C at 760 mmHg
Molecular Weight 159.092
Flash Point 129.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Difluoropyridine-5-carboxylicacid;
PSA 50.19000
LogP 1.05800

4,6-Difluoronicotinic acid Specification

The 4,6-Difluoronicotinic acid is an organic compound with the formula C₆H₃F₂NO₂. The systematic name of this chemical is 4,6-difluoropyridine-3-carboxylic acid. With the CAS registry number 849937-91-3, it is also named as 3-pyridinecarboxylic acid, 4,6-difluoro-.

The other characteristics of 4,6-Difluoronicotinic acid can be summarized as: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.19 Å²; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 31.26 cm³; (9)Molar Volume: 103.6 cm³; (10)Polarizability: 12.39×10^-24 cm³; (11)Surface Tension: 51.6 dyne/cm; (12)Density: 1.535 g/cm³; (13)Flash Point: 129.8 °C; (14)Enthalpy of Vaporization: 56.02 kJ/mol; (15)Boiling Point: 291 °C at 760 mmHg; (16)Vapour Pressure: 0.000918 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:c1c(c(cnc1F)C(=O)O)F
2. InChI:InChI=1/C6H3F2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
3. InChIKey:CWAIXXHIRUVOMA-UHFFFAOYAK
4. Std. InChI:InChI=1S/C6H3F2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
5. Std. InChIKey:CWAIXXHIRUVOMA-UHFFFAOYSA-N

Product Name

4,6-Difluoronicotinic acid

4,6-Difluoronicotinic acid Specification

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