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CAS No.: | 399-31-5 |
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Name: | 2'-Fluoroacetanilide |
Article Data: | 53 |
Molecular Structure: | |
Formula: | C8H8FNO |
Molecular Weight: | 153.156 |
Synonyms: | Acetanilide,2'-fluoro- (6CI,7CI,8CI);2'-Fluoroacetanilide;N-(2-Fluorophenyl)acetamide;NSC 51783;o-Fluoroacetanilide; |
EINECS: | 206-916-9 |
Density: | 1.208g/cm3 |
Melting Point: | 77-79 °C(lit.) |
Boiling Point: | 268 °C at 760 mmHg |
Flash Point: | 128.5 °C |
Appearance: | White to off-white powder. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39-36 |
PSA: | 29.10000 |
LogP: | 1.85710 |
The 2'-Fluoroacetanilide, with cas registry number 399-31-5, belongs to the following product categories: (1)blocks; (2)BuildingBlocks; (3)FluoroCompounds; (4)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (5)Anilines, Amides & Amines; (6)Fluorine Compounds; (7)Nitrogen Compounds; (8)Organic Building Blocks; (9)Protected Amines. It has the systematic name of N-(2-fluorophenyl)acetamide.
Physical properties about this chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.85; (7)ACD/KOC (pH 5.5): 73.69; (8)ACD/KOC (pH 7.4): 73.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 40.51 cm3; (15)Molar Volume: 126.7 cm3; (16)Polarizability: 16.06×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Enthalpy of Vaporization: 50.6 kJ/mol; (19)Vapour Pressure: 0.0079 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride and 2-fluoro-aniline. This reaction will need reagent benzene.
Uses of 2'-Fluoroacetanilide: it can be used to produce 3-amino-4-fluorobenzenesulfonic acid. This reaction will need reagent 25percent fumic sulfuric acid. The reaction time is 90 min with reaction temperature of 40 ℃. The yield is about 60.2%.
When you are using this chemical, please be cautious about it as the following:
The 2'-Fluoroacetanilide irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(Nc1ccccc1F)C
(2)InChI: InChI=1/C8H8FNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
(3)InChIKey: AUZPZBPZWHEIDY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H8FNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
(5)Std. InChIKey: AUZPZBPZWHEIDY-UHFFFAOYSA-N