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CAS No.: | 67531-86-6 |
---|---|
Name: | 2-Fluoro-6-hydroxybenzoic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H5FO3 |
Molecular Weight: | 156.113 |
Synonyms: | 2-Fluoro-6-hydroxybenzoicacid;6-Fluorosalicylic acid; |
EINECS: | -0 |
Density: | 1.492 g/cm3 |
Melting Point: | 159-163 °C(lit.) |
Boiling Point: | 291.2 °C at 760 mmHg |
Flash Point: | 129.9 °C |
Appearance: | white to tan powder |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 57.53000 |
LogP: | 1.22950 |
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The Benzoic acid, 2-fluoro-6-hydroxy- is an organic compound with the formula C7H5FO3. The systematic name of this chemical is 2-fluoro-6-hydroxybenzoic acid. With the CAS registry number 67531-86-6, it is also named as 6-Fluorosalicylic Acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid. Besides, it is a white to tan powder, which should be stored in a closed cool and dry place.
Physical properties about Benzoic acid, 2-fluoro-6-hydroxy- are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): -0.67; (3)ACD/LogD (pH 7.4): -0.73; (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: 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: 129.9 °C; (19)Enthalpy of Vaporization: 56.04 kJ/mol; (20)Boiling Point: 291.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000909 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-fluoro-6-methoxymethoxy-benzoic acid. This reaction will need reagent boron trifluoride-diethyl ether and solvent methanol. The reaction time is 15 hours with reaction temperature of 25 °C. The yield is about 91%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is risk of serious damage to eyes. When you are using it, wear eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(F)cccc1O
(2)InChI: InChI=1/C7H5FO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9H,(H,10,11) CopyCopied ; (3)InChIKey: BCEKGWWLVKXZKK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H5FO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9H,(H,10,11)
(5)Std. InChIKey: BCEKGWWLVKXZKK-UHFFFAOYSA-N