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CAS No.: | 860296-12-4 |
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Name: | 3-Fluoro-5-hydroxybenzoic acid |
Molecular Structure: | |
Formula: | C7H5FO3 |
Molecular Weight: | 156.11 |
Synonyms: | Benzoic acid, 3-fluoro-5-hydroxy-;Benzoic acid, 3-hydroxy-5-fluoro-; |
Density: | 1.492 g/cm3 |
Melting Point: | 214-215℃ (ethyl acetate hexane ) |
Boiling Point: | 351.8 °C at 760 mmHg |
Flash Point: | 166.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 57.53000 |
LogP: | 1.22950 |
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The IUPAC name of this chemical is 3-Fluoro-5-hydroxybenzoic acid. With the CAS registry number 860296-12-4, it is also named as benzoic acid, 3-fluoro-5-hydroxy-. In addition, the molecular formula is C7H5FO3 and the molecular weight is 156.11. It should be stored at room tenperature.
Physical properties about this chemical are: (1)ACD/LogP: 2.16 ; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): -0.9; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.9; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 35.05 cm3; (14)Molar Volume: 104.6 cm3; (15)Polarizability: 13.89 ×10-24cm3; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.492 g/cm3; (18)Flash Point: 166.5 °C; (19)Enthalpy of Vaporization: 62.95 kJ/mol; (20)Boiling Point: 351.8 °C at 760 mmHg; (21)Vapour Pressure: 1.49E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)O)cc(O)c1
(2)InChI: InChI=1/C7H5FO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
(3)InChIKey: PYZWGHVZOQTMCW-UHFFFAOYAH