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| CAS No.: | 446-08-2 |
|---|---|
| Name: | 2-Amino-5-fluorobenzoic acid |
| Article Data: | 22 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6FNO2 |
| Molecular Weight: | 155.129 |
| Synonyms: | 5-Fluoroanthranilic acid;2-amino-5-fluoro-benzoate;2-amino-5-fluoro-benzoic acid; |
| EINECS: | 207-159-7 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 181-183 °C(lit.) |
| Boiling Point: | 318.2 °C at 760 mmHg |
| Flash Point: | 146.2 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi,  T
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 63.32000 |
| LogP: | 1.68730 |
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Specification
The 2-Amino-5-Fluorobenzoic acid is an organic compound with the formula C7H6FNO2. The IUPAC name of this chemical is 2-amino-5-fluorobenzoic acid. With the CAS registry number 446-08-2, it is also named as Benzoic acid, 2-amino-5-fluoro-. The product's categories are Fluorin-contained Benzoic Acid Series; Fine Chemical & Intermediates; Fluorobenzene; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic acid; Nucleotides and Nucleosides; Aromatics Compounds; Benzoic Acid Series; Aromatics; 5-FOA; Bases & Related Reagents; Nucleotides; Carboxylic Acids; Phenyls & Phenyl-Het. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.
Physical properties about 2-Amino-5-Fluorobenzoic acid are: (1)ACD/LogP: 1.64; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): -1.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 37.41 cm3; (14)Molar Volume: 108.4 cm3; (15)Polarizability: 14.83×10-24cm3; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 1.43 g/cm3; (18)Flash Point: 146.2 °C; (19)Enthalpy of Vaporization: 59.08 kJ/mol; (20)Boiling Point: 318.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000154 mmHg at 25°C.
Uses of 2-Amino-5-Fluorobenzoic acid: it can be used to produce 5-fluoro-N-isopropylanthranilic acid by heating. It will need reagent pyridine with reaction time of 4 hours. The yield is about 54.36%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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)SMILES: O=C(O)c1cc(F)ccc1N
(2)InChI: InChI=1/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
(3)InChIKey: FPQMGQZTBWIHDN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
(5)Std. InChIKey: FPQMGQZTBWIHDN-UHFFFAOYSA-N