Benzenamine,4-chloro-N-hydroxy- (823-86-9)

The 4-Chlorophenylhydroxylamine, with cas registry number 823-86-9, has the systematic name of 4-chloro-N-hydroxyaniline. And its IUPAC name is N-(4-chlorophenyl)hydroxylamine. Besides this, it is also called Hydroxylamine, N- (p-chlorophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 13.24; (6)ACD/BCF (pH 7.4): 11.78; (7)ACD/KOC (pH 5.5): 220.97; (8)ACD/KOC (pH 7.4): 196.6; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 37.65 cm³; (15)Molar Volume: 101.8 cm³; (16)Polarizability: 14.92×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Enthalpy of Vaporization: 51.67 kJ/mol; (19)Vapour Pressure: 0.0106 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-4-nitro-benzene. This reaction will need reagent NH₂NH₂ and solvent tetrahydrofuran, ethanol. The reaction time is 1 hour. The yield is about 40%.

Uses of 4-Chlorophenylhydroxylamine: it can be used to produce 1-chloro-4-nitroso-benzene. This reaction will need reagent potassium dichromate-sulfuric acid.

 You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NO)cc1
(2)InChI: InChI=1/C6H6ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4,8-9H
(3)InChIKey: VVQDMDRAUXFEND-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H6ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4,8-9H
(5)Std. InChIKey: VVQDMDRAUXFEND-UHFFFAOYSA-N