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| CAS No.: | 163733-99-1 |
|---|---|
| Name: | 4-AMINO-2,3-DIFLUORO-PHENOL |
| Molecular Structure: | |
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|
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| Formula: | C6H5F2NO |
| Molecular Weight: | 145.109 |
| Synonyms: | 4-Amino-2,3-difluorophenol; |
| Density: | 1.472 g/cm3 |
| Melting Point: | ca 153℃ |
| Boiling Point: | 255.49 °C at 760 mmHg |
| Flash Point: | 108.317 °C |
| Appearance: | brown toblack powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 46.25000 |
| LogP: | 1.83380 |
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Specification
The 4-Amino-2,3-difluorophenol with the CAS number 163733-99-1 is also called Phenol,4-amino-2,3-difluoro-. Its molecular formula is C6H5F2NO. This chemical belongs to the following product categories: (1)Halide; (2)Aromatic Phenols; (3)pharmacetical; (4)Phenol & Thiophenol & Mercaptan. It is brown to black powder.
The properties of the 4-Amino-2,3-difluorophenol are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 3.27; (6)ACD/BCF (pH 7.4): 2.62; (7)ACD/KOC (pH 5.5): 81.06; (8)ACD/KOC (pH 7.4): 65.04; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 32.35 cm3; (15)Molar Volume: 98.5 cm3; (16)Polarizability: 12.82×10-24cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Enthalpy of Vaporization: 51.29 kJ/mol; (19)Vapour Pressure: 0.0101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(ccc(O)c1F)N
(2)InChI: InChI=1/C6H5F2NO/c7-5-3(9)1-2-4(10)6(5)8/h1-2,10H,9H2
(3)InChIKey: LYFMJLYBTMEYDV-UHFFFAOYAZ