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Nitrobenzene

Nitrobenzene structure

Nitrobenzene 

structure
  • CAS No:

    98-95-3

  • Formula:

    C6H5NO2

  • Chemical Name:

    Nitrobenzene

  • Synonyms:

    Benzene,nitro-;Nitrobenzene;Essence of Mirbane;Essence of Myrbane;Mirbane oil;Nitrobenzol;Oil of Mirbane;Oil of Myrbane;NSC 9573;1-Nitrobenzene

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

Nitrobenzene is an organic compound with the chemical formula C6H5NO2. It is a colorless or slightly yellow oily liquid with a bitter almond flavor. The density of Nitrobenzene is 1.205g/cm3, the melting point is 5-6℃, the boiling point is 210-211℃, the flash point is 88℃, the logP is 2.118, and the refractive index is 1.551 (20℃). It is insoluble in water and has a higher density than water. It is easily soluble in ethanol, ether, benzene and oil. It will burn and explode when exposed to open flames and high heat. Nitrobenzene has active chemical properties and can be reduced to diazonium salts and azobenzene. Nitrobenzene reacts violently with nitric acid and is often produced by reacting a mixed acid of nitric acid and sulfuric acid with benzene. As an organic synthesis intermediate and a raw material for the production of aniline, Nitrobenzene is mainly used to prepare aniline, benzidine, azobenzene, etc., and is used in the production of dyes, fragrances, explosives and other organic synthesis industries. Nitrobenzene has a weak oxidizing effect and can be used as an oxidant for oxidative dehydrogenation. Nitrobenzene is highly toxic. Inhaling a large amount of vapor or getting a large amount of skin contamination can cause acute poisoning, oxidizing or complexing hemoglobin, turning the blood dark brown, and causing headaches, nausea, vomiting, etc.

Nitrobenzene Basic Attributes

123.11

123.11

507540

202-716-0

2904201000

Characteristics

45.8

1.9

Clear yellow Liquid

1.2037 g/cm3 @ Temp: 20 °C

5.7 °C

210.8 °C

190 °F

1.5503-1.5523

H2O: slightly soluble

2-8°C

0.15 mm Hg ( 20 °C)

4.2 (vs air)

Oral-Rat  LD50: 780 mg/kg; Oral-Rat  LD50: 590 mg/kg

Open flame, high heat, combustible; reacts with nitric acid; burning produces toxic nitrogen oxide fumes

1.8-40%(V)

Odor of volatile oil almond

Aqueous solutions are sweet tasting

Safety Information

II

6.1

UN 1662 6.1/PG 2

2

23/24/25-40-48/23/24-51/53-62-39/23/24/25-11-36/37/38-60-52/53-48/23/24/25-36-20/21/22

28-36/37-45-61-28A-16-7-27-53-26

DA6475000

T,N,F,Xn

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and nitric acid

Explosive when mixed with air

Stable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. Flammable. Note wide explosion limits.

P201, P202, P260, P261, P264, P270, P271, P273, P280, P281, P301+P310, P302+P352, P304+P340, P308+P313, P311, P312, P314, P321, P322, P330, P361, P363, P403+P233, P405, P501

H301

UN 1662

P201; P280; P302 + P352 + P312; P304 + P340 + P312; P308 + P313

Toxicity

moderately toxic

Nitrobenzene Use and Manufacturing

Methods of Manufacturing

Derived from benzene by nitrification of mixed acid. This is the traditional method of producing nitrobenzene, which was initially produced by the batch method, and later the continuous method was developed, and recently it has been developed into the adiabatic nitrification method. The batch method is a reaction of benzene and mixed acid in a cast iron nitrification pot at 50°C. Continuous nitrification uses a series of nitrifiers. In order to make full use of nitric acid and reduce the production of dinitrobenzene, a small excess of benzene is added. The advantage of the continuous method is that the production capacity is large, and the concentration of nitric acid can be appropriately reduced. The adiabatic nitrification method can be operated intermittently or continuously, and the heat of reaction can be used to concentrate sulfuric acid, with less by-product dinitrobenzene. Raw material consumption quota: pure benzene (industrial product) 665kg/t, nitric acid (98%570kg/t, sulfuric acid (92.5%) 50kg/t, soda ash 20kg/t.

Uses

For the manufacture of aniline; in soaps, shoe polishes; for refining lubricating oils; manufacture of pyroxylin Compounds.

Computed Properties

Molecular Weight:123.11
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Exact Mass:123.032028402
Monoisotopic Mass:123.032028402
Topological Polar Surface Area:45.8
Heavy Atom Count:9
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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