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| CAS No.: | 54629-13-9 |
|---|---|
| Name: | 2-(4-FLUOROPHENOXY)NICOTINIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H8FNO3 |
| Molecular Weight: | 233.199 |
| Synonyms: | 2-(4-Fluorophenoxy)nicotinicacid; |
| Density: | 1.371 g/cm3 |
| Melting Point: | 187 °C |
| Boiling Point: | 365.2 °C at 760 mmHg |
| Flash Point: | 174.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 59.42000 |
| LogP: | 2.71120 |
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- Total:13 Page 1 of 1 1
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Specification
The cas register number of 2-(4-Fluorophenoxy)nicotinic acid is . It also can be called as 2-(4-Fluorophenoxy)pyridine-3-carboxylic acid and the Systematic name about this chemical is 2-(4-fluorophenoxy)pyridine-3-carboxylic acid.
Physical properties about 2-(4-Fluorophenoxy)nicotinic acid are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -1.77; (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: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.42Å2; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 57.71 cm3; (14)Molar Volume: 169.9 cm3; (15)Polarizability: 22.87x10-24cm3; (16)Surface Tension: 54.4 dyne/cm; (17)Enthalpy of Vaporization: 64.52 kJ/mol; (18)Vapour Pressure: 5.63E-06 mmHg at 25°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. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(Oc1ncccc1C(=O)O)cc2
(2)InChI: InChI=1/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
(3)InChIKey: SDZUYDOXBXHDCE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
(5)Std. InChIKey: SDZUYDOXBXHDCE-UHFFFAOYSA-N