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CAS No.: | 3896-29-5 |
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Name: | 2',6'-Difluoroacetanilide |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H7F2NO |
Molecular Weight: | 171.146 |
Synonyms: | Acetanilide,2',6'-difluoro- (7CI,8CI);2',6'-Difluoroacetanilide;N-(2,6-Difluorophenyl)acetamide;NSC 129816; |
Density: | 1.307 g/cm3 |
Boiling Point: | 265.9 °C at 760 mmHg |
Flash Point: | 114.6 °C |
Hazard Symbols: | Xi |
PSA: | 29.10000 |
LogP: | 1.99620 |
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The 2',6'-Difluoroacetanilide with its cas register number is 3896-29-5. It also can be called as N-(2,6-Difluorophenyl)acetamide and the IUPAC Name about this chemical is N-(2,6-difluorophenyl)acetamide.
Physical properties about 2',6'-Difluoroacetanilide are: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 2.22; (5)ACD/BCF (pH 7.4): 2.22; (6)ACD/KOC (pH 5.5): 61.56; (7)ACD/KOC (pH 7.4): 61.56; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 40.51 cm3; (14)Molar Volume: 130.9 cm3; (15)Polarizability: 16.06x10-24cm3; (16)Surface Tension: 38 dyne/cm; (17)Density: 1.307 g/cm3; (18)Flash Point: 114.6 °C; (19)Enthalpy of Vaporization: 50.38 kJ/mol; (20)Boiling Point: 265.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00894 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=C(C=CC=C1F)F
(2)InChI: InChI=1S/C8H7F2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)
(3)InChIKey: BAFSDKCDEQVQMT-UHFFFAOYSA-N