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65145-13-3

Basic Information
CAS No.: 65145-13-3
Name: Benzoicacid, 2-fluoro-4-hydroxy-
Molecular Structure:
Molecular Structure of 65145-13-3 (Benzoicacid, 2-fluoro-4-hydroxy-)
Formula: C7H5FO3
Molecular Weight: 156.11
Synonyms: 2-Fluoro-4-hydroxybenzoicacid;4-Hydroxy-2-fluorobenzoic acid;
EINECS: 613-746-2
Density: 1.492 g/cm3
Melting Point: 199-202 °C
Boiling Point: 334.6 °C at 760 mmHg
Flash Point: 156.2 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 57.53000
LogP: 1.22950
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  • 2-Fluoro-4-hydroxybenzoic acid

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    65145-13-3

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  • Benzoicacid, 2-fluoro-4-hydroxy-

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    65145-13-3

    Benzoicacid, 2-fluoro-4-hydroxy-

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    65145-13-3

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    65145-13-3

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  • 4-FLUORO-2-HYDROXYBENZOIC ACID

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    65145-13-3

    4-FLUORO-2-HYDROXYBENZOIC ACID

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Specification

The Benzoicacid, 2-fluoro-4-hydroxy-, with the CAS registry number 65145-13-3, is also known as 2-Fluoro-4-hydroxybenzoicacid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Acids & Esters; Fluorine Compounds; Phenols. This chemical's molecular formula is C7H5FO3 and molecular weight is 156.11. Its systematic name is called 2-fluoro-4-hydroxybenzoic acid. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of Benzoicacid, 2-fluoro-4-hydroxy-: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): -0.19; (3)ACD/LogD (pH 7.4): -1.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.4; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 35.05 cm3; (13)Molar Volume: 104.6 cm3; (14)Surface Tension: 60.3 dyne/cm; (15)Density: 1.492 g/cm3; (16)Flash Point: 156.2 °C; (17)Enthalpy of Vaporization: 60.96 kJ/mol; (18)Boiling Point: 334.6 °C at 760 mmHg; (19)Vapour Pressure: 4.99E-05 mmHg at 25°C.

Preparation of Benzoicacid, 2-fluoro-4-hydroxy-: this chemical can be prepared by 2-fluoro-4-propoxybenzoic acid. This reaction will need reagent BBr3 and solvent CH2Cl2. The reaction temperature is -78 - 20 °C. The yield is about 89%.

Benzoicacid, 2-fluoro-4-hydroxy- can be prepared by 2-fluoro-4-propoxybenzoic acid

Uses of Benzoicacid, 2-fluoro-4-hydroxy-: it can be used to produce 4-butoxy-2-fluorobenzoic acid with 1-bromo-butane by heating. This reaction will need reagents ethanol, potassium hidroxide and solvent H2O with reaction time of 25 hours. The yield is about 64%.

Benzoicacid, 2-fluoro-4-hydroxy- can be used to produce 4-butoxy-2-fluorobenzoic acid with 1-bromo-butane by heating

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)O)ccc(O)c1
(2)InChI: InChI=1/C7H5FO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
(3)InChIKey: NXWTWYULZRDBSA-UHFFFAOYAX