1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-,1-(dihydrogen phosphate) supplier

Name
Fosfluconazole
EINECS 1312995-182-4
CAS No. 194798-83-9
Article Data4
CAS DataBase
Density 1.7 g/cm³
Solubility
Melting Point 223-224°
Formula C₁₃H₁₃F₂N₆O₄P
Boiling Point 701.5 °C at 760 mmHg
Molecular Weight 386.255
Flash Point 378.1 °C
Transport Information
Appearance White to off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2,4-Difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propyl dihydrogen phosphate;
PSA 137.99000
LogP 1.23970

1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-,1-(dihydrogen phosphate) Specification

The 1H-1,2,4-Triazole-1-ethanol,a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-,1-(dihydrogen phosphate), with the CAS registry number 194798-83-9, is also known as 2-(2,4-Difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propyl dihydrogen phosphate. This chemical's molecular formula is C₁₃H₁₃F₂N₆O₄P and molecular weight is 386.2507. What's more, its IUPAC name is [2-(2,4-Difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-
2-yl] dihydrogen phosphate. Its classification code is Antifungal.

Physical properties about 1H-1,2,4-Triazole-1-ethanol,a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-,1-(dihydrogen phosphate) are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 10; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 115.99 Å²; (11)Index of Refraction: 1.683; (12)Molar Refractivity: 86.01 cm³; (13)Molar Volume: 226.6 cm³; (14)Polarizability: 34.09×10^-24cm³; (15)Surface Tension: 73.1 dyne/cm; (16)Density: 1.7 g/cm³; (17)Flash Point: 378.1 °C; (18)Enthalpy of Vaporization: 107.82 kJ/mol; (19)Boiling Point: 701.5 °C at 760 mmHg; (20)Vapour Pressure: 1.18E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(c(F)c1)C(OP(=O)(O)O)(Cn2ncnc2)Cn3ncnc3
(2) InChI: InChI=1/C13H13F2N6O4P/c14-10-1-2-11(12(15)3-10)13(25-26(22,23)24,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9H,4-5H2,(H2,22,23,24)
(3) InChIKey: GHJWNRRCRIGGIO-UHFFFAOYAZ

Product Name

Fosfluconazole

1H-1,2,4-Triazole-1-ethanol, a-(2,4-difluorophenyl)-a-(1H-1,2,4-triazol-1-ylmethyl)-,1-(dihydrogen phosphate) Specification

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