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| CAS No.: | 135086-76-9 |
|---|---|
| Name: | 4-AMINO-3,5-DIFLUORO-PHENOL |
| Molecular Structure: | |
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|
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| Formula: | C6H5F2NO |
| Molecular Weight: | 145.109 |
| Synonyms: | 2,6-Difluoro-4-hydroxyaniline;4-Amino-3,5-difluorophenol; |
| Density: | 1.472 g/cm3 |
| Melting Point: | 147-150℃ |
| Boiling Point: | 250 °C at 760 mmHg |
| Flash Point: | 105 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 46.25000 |
| LogP: | 1.83380 |
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- Total:23 Page 1 of 1 1
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Specification
The Phenol,4-amino-3,5-difluoro-, with CAS registry number 135086-76-9, belongs to the following product categories: (1)Aromatic Phenols; (2)Pharmacetical; (3)Phenol & Thiophenol & Mercaptan. It has the systematic name of 4-amino-3,5-difluorophenol. And the chemical formula of this chemical is C6H5F2NO.
Physical properties of Phenol,4-amino-3,5-difluoro-: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.93; (6)ACD/BCF (pH 7.4): 4.35; (7)ACD/KOC (pH 5.5): 109.02; (8)ACD/KOC (pH 7.4): 96.09; (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)Density: 1.472 g/cm3; (19)Flash Point: 105 °C; (20)Enthalpy of Vaporization: 50.69 kJ/mol; (21)Boiling Point: 250 °C at 760 mmHg; (22)Vapour Pressure: 0.0141 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(N)c(F)cc(O)c1
(2)InChI: InChI=1/C6H5F2NO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,9H2
(3)InChIKey: YHQVBHFKCBFNEG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H5F2NO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,9H2
(5)Std. InChIKey: YHQVBHFKCBFNEG-UHFFFAOYSA-N