CAS No.52806-53-8,Hydroxyflutamide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	52806-53-8
Name:	Hydroxyflutamide

Formula:	C₁₁H₁₁F₃N₂O₄
Molecular Weight:	292.215
Synonyms:	Hydroxyflutamide;Hydroxyniphtholide;Sch 16423;a,a,a-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide;
Density:	1.472g/cm³
Melting Point:	125-130°C
Boiling Point:	443.801 °C at 760 mmHg
Flash Point:	222.203 °C
Appearance:	Yellow-Brown Powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	95.15000
LogP:	2.91920

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Specification

The Hydroxyflutamide, with CAS registry number 52806-53-8, belongs to the following product categories: (1)Various Metabolites and Impurities; (2)Inhibitors; (3)Metabolites. It has the systematic name of 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide. This chemical is a kind of yellow-brown powder. And the chemical formula of this chemical is C₁₁H₁₁F₃N₂O₄.

Physical properties of Hydroxyflutamide: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.671; (4)ACD/LogD (pH 7.4): 2.671; (5)ACD/BCF (pH 5.5): 63.036; (6)ACD/BCF (pH 7.4): 63.036; (7)ACD/KOC (pH 5.5): 675.706; (8)ACD/KOC (pH 7.4): 675.703; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 95.15 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 62.817 cm³; (15)Molar Volume: 198.436 cm³; (16)Polarizability: 24.902×10^-24cm³; (17)Surface Tension: 45.402 dyne/cm; (18)Density: 1.473 g/cm³; (19)Flash Point: 222.203 °C; (20)Enthalpy of Vaporization: 73.933 kJ/mol; (21)Boiling Point: 443.801 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-hydroxy-2-methyl-proπonic acid methyl ester and 4-nitro-3-trifluoromethyl-aniline. This reaction will need reagent NaH and solvent toluene. The reaction time is 30 min. The yield is about 47%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O)O
(2)InChI: InChI=1/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
(3)InChIKey: YPQLFJODEKMJEF-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
(5)Std. InChIKey: YPQLFJODEKMJEF-UHFFFAOYSA-N