Benzene, nitroso- (586-96-9)

The Nitrosobenzene with the CAS number 586-96-9 is also called Benzene, nitroso-. Its molecular formula is C₆H₅NO. The EINECS registry number is 209-591-1. This chemical belongs to the following product categories: (1)Analytical Chemistry; (2)ESR Spectrometry; (3)Spin Trapping Reagents. It can be used for organic synthesis and biochemical study.

The properties of the Nitrosobenzene are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.84; (6)ACD/BCF (pH 7.4): 19.84; (7)ACD/KOC (pH 5.5): 295.42; (8)ACD/KOC (pH 7.4): 295.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 31.54 cm³; (15)Molar Volume: 102.2 cm³; (16)Polarizability: 12.5×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Enthalpy of Vaporization: 38.34 kJ/mol; (19)Vapour Pressure: 2.71 mmHg at 25°C.

Preparation: This chemical can be prepared by N-phenyl-hydroxylamine. This reaction needs reagent chromic acid mixture.

Uses: This chemical can react with pyridin-3-ylamine to prepare 3-(phenyl-trans-azo)-pyridine. This reaction needs reagent aqueous NaOH and benzene.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation and in contact with skin. It is toxic if swallowed. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=Nc1ccccc1
(2)InChI: InChI=1/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
(3)InChIKey: NLRKCXQQSUWLCH-UHFFFAOYAR