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2-Amino-6-fluorobenzoic acid

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Name

2-Amino-6-fluorobenzoic acid

EINECS -0
CAS No. 434-76-4 Density 1.43 g/cm3
PSA 63.32000 LogP 1.68730
Solubility N/A Melting Point 170-172 °C
Formula C7H6FNO2 Boiling Point 308.8 °C at 760 mmHg
Molecular Weight 155.129 Flash Point 140.5 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 434-76-4 (2-Amino-6-fluorobenzoic acid) Hazard Symbols IrritantXi
Synonyms

Anthranilicacid, 6-fluoro- (6CI,8CI);6-Fluoroanthranilicacid;AC1LAV6K;Anthralic acid, 6-fluoro-;AC1Q50PR;Oprea1_302702;443026_ALDRICH;

Article Data 5

2-Amino-6-fluorobenzoic acid Specification

The 2-Amino-6-fluorobenzoic acid with CAS registry number of 434-76-4 is also known as 6-fluoroanthranilic acid. The IUPAC name and product name are the same. It belongs to product categories of Fluorin-contained Benzoic acid series; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic Acid. In addition, the formula is C7H6FNO2 and the molecular weight is 155.13. This chemical is a white to light yellow crystal powder.

Physical properties about 2-Amino-6-fluorobenzoic acid are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.35; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 37.41 cm3; (15)Molar Volume: 108.4 cm3; (16)Polarizability: 14.83×10-24cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 140.5 °C; (20)Enthalpy of Vaporization: 58.02 kJ/mol; (21)Boiling Point: 308.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000288 mmHg at 25 °C

Preparation of 2-Amino-6-fluorobenzoic acid: it is prepared by reaction of 2-amino-6-fluorobenzonitrile. The reaction needs reagent NaOH and solvent H2O with other condition of heating for 12 hours. The yield is about 90%.

2-Amino-6-fluorobenzoic acid is prepared by reaction of 2-amino-6-fluorobenzonitrile.

Uses of 2-Amino-6-fluorobenzoic acid: it is used to produce 5-fluoroquinazoline-2,4-(1H,3H)-dione by reaction with urea. The reaction occurs with reagent 2M NaOH and solvent H2O with other condition of heating for 72 hours. The yield is about 84%.

2-Amino-6-fluorobenzoic acid is used to produce 5-fluoroquinazoline-2,4-(1H,3H)-dione by reaction with urea.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During 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. Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)O)N
2. InChI: InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
3. InChIKey: RWSFZKWMVWPDGZ-UHFFFAOYSA-N

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