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Nitrosobenzene

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Name

Nitrosobenzene

EINECS 209-591-1
CAS No. 586-96-9 Density 1.04 g/cm3
PSA 29.43000 LogP 2.08450
Solubility Soluble in chloroform (100 mg/ml - clear, green solution); soluble in CHCL3 (168 mg / ml-clear, green solution) Melting Point 65-69 °C(lit.)
Formula C6H5NO Boiling Point 163.3 °C at 760 mmHg
Molecular Weight 107.112 Flash Point 56.3 °C
Transport Information UN 2811 Appearance light yellow solid
Safety 26-36/37-45 Risk Codes 20/21-25
Molecular Structure Molecular Structure of 586-96-9 (Nitrosobenzene) Hazard Symbols ToxicT
Synonyms

NSC 66479;Nitrosobenzene;

Article Data 285

Nitrosobenzene Specification

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

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