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| CAS No.: | 38186-88-8 |
|---|---|
| Name: | 2-Chloro-5-fluoronicotinic acid |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C6H3ClFNO2 |
| Molecular Weight: | 175.547 |
| Synonyms: | 2-Chloro-5-fluoropyridine-3-carboxylic acid; |
| Density: | 1.576 g/cm3 |
| Melting Point: | 141-142 °C |
| Boiling Point: | 297.003 °C at 760 mmHg |
| Flash Point: | 133.423 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 7/9-24/25-26-36/37-38-51 |
| PSA: | 50.19000 |
| LogP: | 1.57230 |
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Specification
The 2-Chloro-5-fluoronicotinic acid, with the CAS registry number 38186-88-8, is also known as 3-Pyridinecarboxylic acid, 2-chloro-5-fluoro-. It belongs to the product categories of Pyridine; Pyridines, Pyrimidines, Purines and Pteredines; Pharmacetical; Pyridines; Building Blocks; Boronic Acid. This chemical's molecular formula is C6H3ClFNO2 and molecular weight is 175.54. What's more, its IUPAC name is called 2-Chloro-5-fluoropyridine-3-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Chloro-5-fluoronicotinic acid are: (1)ACD/LogP: 0.576; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 36.163 cm3; (15)Molar Volume: 111.347 cm3; (16)Polarizability: 14.336×10-24cm3; (17)Surface Tension: 57.445 dyne/cm; (18)Density: 1.577 g/cm3; (19)Flash Point: 133.423 °C; (20)Enthalpy of Vaporization: 56.69 kJ/mol; (21)Boiling Point: 297.003 °C at 760 mmHg; (22)Vapour Pressure: 0.00100 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(F)cnc1Cl
(2) InChI: InChI=1S/C6H3ClFNO2/c7-5-4(6(10)11)1-3(8)2-9-5/h1-2H,(H,10,11)
(3) InChIKey: WMADTZFXZAITIR-UHFFFAOYSA-N