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3-Fluoro-4-hydroxybenzoic acid

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Name

3-Fluoro-4-hydroxybenzoic acid

EINECS 609-056-6
CAS No. 350-29-8 Density 1.492 g/cm3
PSA 57.53000 LogP 1.22950
Solubility Slightly soluble in water. Melting Point 154-158 °C(lit. )
Formula C7H5FO3 Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 156.113 Flash Point 142.4 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 350-29-8 (3-Fluoro-4-hydroxybenzoic acid) Hazard Symbols CorrosiveC, IrritantXi
Synonyms

3-Fluoro 4-Hydroxy benzoic acid;3-Fluoro-4-hydroxy-benzoate;3-Fluoro-4-hydroxybenzoate;3-Fluoro-4-hydroxy-benzoic acid;Benzoic acid, 3-fluoro-4-hydroxy-;3-Fluoro-4-hydroxy benzoic acid;

Article Data 9

3-Fluoro-4-hydroxybenzoic acid Specification

The 3-Fluoro-4-hydroxybenzoic acid, with the CAS registry number of 350-29-8, is also known as 3-Fluoro-4-hydroxybenzoic acid hydrate and 3-Fluoro-4-hydroxybenzoate. It belongs to the product categories of Blocks; Carboxes; FluoroCompounds; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Fluorine Compounds; Phenols; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C7H5FO3 and molecular weight is 156.11.

Physical properties about are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.61; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 35.05 cm3; (15)Molar Volume: 104.6 cm3; (16)Polarizability: 13.89×10-24 cm3; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.492 g/cm3; (19)Flash Point: 142.4 °C; (20)Enthalpy of Vaporization: 58.37 kJ/mol; (21)Boiling Point: 311.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000234 mmHg at 25 °C; (23)Melting Point: 154-158 °C(lit. ).

Preparation: this chemical is prepared by 3-Fluoro-4-methoxy-benzoic acid. The reaction needs reagent BBr3 and solvent CH2Cl2. The reaction temperature is -78 - 20 °C. The yield is about 96 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Butoxy-3-fluoro-benzoic acid at heating. This reaction needs reagents Ethanol and Potassium hidroxide. Meanwhile, it needs solvent H2O. The reaction time is 25 hours. The yield is about 43 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. 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: Fc1cc(C(=O)O)ccc1O
(2) InChI: InChI=1/C7H5FO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
(3) InChIKey: IUSDEKNMCOUBEE-UHFFFAOYAM

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