The 4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide with its cas register number is 92-76-2. It also can be called as 2-Naphthalenecarboxamide,N-(4-chloro-2-methylphenyl)-3-hydroxy- and the IUPAC Name about this chemical is N-(4-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide. It belongs to the Substrates and Organics.
Physical properties about 4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide are: (1)ACD/LogP: 5.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.75; (4)ACD/LogD (pH 7.4): 5.71; (5)ACD/BCF (pH 5.5): 13806.1; (6)ACD/BCF (pH 7.4): 12639.46; (7)ACD/KOC (pH 5.5): 31981.83; (8)ACD/KOC (pH 7.4): 29279.31; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 90.27 cm3; (15)Molar Volume: 229 cm3; (16)Polarizability: 35.78x10-24cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Enthalpy of Vaporization: 70.72 kJ/mol; (19)Vapour Pressure: 7.31E-08 mmHg at 25°C
Uses of 4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide: it can be used to produce C39H22BrClN6O3 with 11-amino-3-bromo-13H-acenaphtho[1,2-e]pyridazino[3,2-b]quinazoline-13-one at temperature of 0 - 5//0 - 5 ℃. It will need reagent NaNO2, HCl and solvent alkaline aq. solution. The yield is about 74 %.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O
(2)InChI: InChI=1S/C18H14ClNO2/c1-11-8-14(19)6-7-16(11)20-18(22)15-9-12-4-2-3-5-13(12)10-17(15)21/h2-10,21H,1H3,(H,20,22)
(3)InChIKey: PSRNXESQSJEQMN-UHFFFAOYSA-N
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