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CAS No.: | 82671-06-5 |
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Name: | 2,6-Dichloro-5-fluoronicotinic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C6H2Cl2FNO2 |
Molecular Weight: | 209.992 |
Synonyms: | 2,6-Dichloro-5-fluoro-3-pyridinecarboxylicacid; |
EINECS: | 628-094-4 |
Density: | 1.577g/cm3 |
Melting Point: | 152-155 °C(lit.) |
Boiling Point: | 335.3 °C at 760 mmHg |
Flash Point: | 156.6 °C |
Appearance: | light yellow to beige fine crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 50.19000 |
LogP: | 2.22570 |
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This chemical is called 2,6-Dichloro-5-fluoro nicotinic acid, and it's also named 2,6-Dichloro-5-fluoro-3-pyridinecarboxylic acid. With the molecular formula of C6H2Cl2FNO2, its product categories are Pyridines, Pyrimidines, Purines and Pteredines; Pharmacetical; Carboxylic Acids; Chloropyridines; Fluoropyridines; Halopyridines; Carboxylic Acids. The CAS registry number of this chemical is 82671-06-5. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the 2,6-Dichloro-5-fluoro nicotinic acid can be summarised as followings: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 41.05 cm3; (15)Molar Volume: 123.2 cm3; (16)Polarizability: 16.27×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.703 g/cm3; (19)Flash Point: 156.6 °C; (20)Enthalpy of Vaporization: 61.04 kJ/mol; (21)Boiling Point: 335.3 °C at 760 mmHg; (22)Vapour Pressure: 4.77E-05 mmHg at 25°C.
Production method of this chemical: The 2,6-Dichloro-5-fluoro nicotinic acid could be obtained by the reactant of 2,6-dichloro-5-fluoropyridine-3-carboxamide. This reaction needs the reagent of 35percent HCl. The yield is 81 %. In addition, this reaction should be taken for 3 hours at the temperature of 135-140 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(c(nc(c1F)Cl)Cl)C(=O)O
2.InChI: InChI=1/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)
3.InChIKey: LTDGKGCHRNNCAC-UHFFFAOYAS