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| CAS No.: | 399-36-0 |
|---|---|
| Name: | 2,4-Difluoroacetanilide |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H7F2NO |
| Molecular Weight: | 171.146 |
| Synonyms: | Acetanilide,2',4'-difluoro- (7CI,8CI);2',4'-Difluoroacetanilide;N-(2,4-Difluorophenyl)acetamide;N-Acetyl-2,4-difluoroaniline;NSC 51780;2,4-Difluoroacetanilide; |
| EINECS: | -0 |
| Density: | 1.307 g/cm3 |
| Melting Point: | 122-124 °C |
| Boiling Point: | 276.8 °C at 760 mmHg |
| Flash Point: | 121.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 29.10000 |
| LogP: | 1.99620 |
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Specification
The IUPAC name of 2,4-Difluoroacetanilide is N-(2,4-difluorophenyl)acetamide. With the CAS registry number 399-36-0, it is also named as Acetanilide, 2',4'-difluoro-. The product's categories are Anilines, Amides & Amines; Fluorine Compounds. In addition, its molecular formula is C8H7F2NO and molecular weight is 171.15.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 125.49; (8)ACD/KOC (pH 7.4): 125.49; (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: 1.531; (14)Molar Refractivity: 40.51 cm3; (15)Molar Volume: 130.9 cm3; (16)Polarizability: 16.06×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 121.2 °C; (20)Melting Point: 122-124 °C; (21)Enthalpy of Vaporization: 51.53 kJ/mol; (22)Boiling Point: 276.8 °C at 760 mmHg; (23)Vapour Pressure: 0.0047 mmHg at 25 °C.
Preparation of 2,4-Difluoroacetanilide: this chemical can be prepared by the reaction of 2,4-difluoro-aniline with acetic acid anhydride.
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This reaction will occur at ambient temperature. The yield is 87 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)F)F
(2)InChI: InChI=1S/C8H7F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
(3)InChIKey: WOHLPEUHFSHZAN-UHFFFAOYSA-N