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CAS No.: | 446-32-2 |
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Name: | 2-Amino-4-fluorobenzoic acid |
Article Data: | 18 |
Cas Database | |
Molecular Structure: | |
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Formula: | C7H6FNO2 |
Molecular Weight: | 155.129 |
Synonyms: | Anthranilicacid, 4-fluoro- (7CI,8CI);4-Fluoro-2-aminobenzoic acid;4-Fluoroanthranilic acid; |
EINECS: | 207-163-9 |
Density: | 1.43 g/cm3 |
Melting Point: | 192-196 °C(lit.) |
Boiling Point: | 318.1 °C at 760 mmHg |
Flash Point: | 146.2 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: |
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Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 63.32000 |
LogP: | 1.68730 |
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The Benzoicacid, 2-amino-4-fluoro-, with the CAS registry number 446-32-2, is also known as 4-Fluoroanthranilic acid. It belongs to the product categories of Fluorin-contained Benzoic Acid Series; Amines and Anilines; Amino Acids and Derivatives; Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic Acid; Chemical Amines; Amines; Aromatics; Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic Acid Series. Its EINECS registry number is 207-163-9. This chemical's molecular formula is C7H6FNO2 and molecular weight is 155.126443. Its IUPAC name is called 2-amino-4-fluorobenzoic acid. What's more, the product should be sealed and stored in cool and dry place.
Physical properties of Benzoicacid, 2-amino-4-fluoro-: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 0.74; (3)ACD/LogD (pH 7.4): -0.93; (4)ACD/BCF (pH 5.5): 1.2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.06; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 37.41 cm3; (13)Molar Volume: 108.4 cm3; (14)Surface Tension: 60.4 dyne/cm; (15)Density: 1.43 g/cm3; (16)Flash Point: 146.2 °C; (17)Enthalpy of Vaporization: 59.07 kJ/mol; (18)Boiling Point: 318.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000155 mmHg at 25°C.
Preparation of Benzoicacid, 2-amino-4-fluoro-: this chemical can be prepared by 4-fluoro-2-nitro-benzoic acid. This reaction will need reagents palladium/charcoal and ethanol.
Uses of Benzoicacid, 2-amino-4-fluoro-: it can be used to produce 2-amino-4-fluorobenzyl alcohol by heating. This reaction will need reagent LiAlH4 and solvent diethyl ether with reaction time of 3 hours. The yield is about 70%.
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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1F)N)C(=O)O
(2)InChI: InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
(3)InChIKey: LGPVTNAJFDUWLF-UHFFFAOYSA-N