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| CAS No.: | 115551-33-2 |
|---|---|
| Name: | 6-AMINO-2 3-DIFLUOROPHENOL |
| Molecular Structure: | |
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| Formula: | C6H5F2NO |
| Molecular Weight: | 145.109 |
| Synonyms: | 2-Amino-5,6-difluorophenol;2-Hydroxy-3,4-difluoroaniline;6-Amino-2,3-difluorophenol; |
| Density: | 1.472 g/cm3 |
| Boiling Point: | 229.4 °C at 760 mmHg |
| Flash Point: | 92.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 46.25000 |
| LogP: | 1.83380 |
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- Total:25 Page 1 of 1 1
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Specification
The Phenol,6-amino-2,3-difluoro- is an organic compound with the formula C6H5F2NO. The systematic name of this chemical is 6-amino-2,3-difluorophenol. With the CAS registry number 115551-33-2, it is also named as 4-Amino-3-(trifluoromethyl)anisole. The product's category is Benzene Series.
Physical properties about Phenol,6-amino-2,3-difluoro- are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1.55; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 8.62; (5)ACD/BCF (pH 7.4): 5.32; (6)ACD/KOC (pH 5.5): 158.41; (7)ACD/KOC (pH 7.4): 97.76; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 32.35 cm3; (14)Molar Volume: 98.5 cm3; (15)Polarizability: 12.82×10-24cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.472 g/cm3; (18)Flash Point: 92.5 °C; (19)Enthalpy of Vaporization: 48.49 kJ/mol; (20)Boiling Point: 229.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0463 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(O)c(N)cc1
(2)InChI: InChI=1/C6H5F2NO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2
(3)InChIKey: KRURHZHJEDNBCM-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H5F2NO/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2
(5)Std. InChIKey: KRURHZHJEDNBCM-UHFFFAOYSA-N