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2-Nitrotoluene

2-Nitrotoluene structure

CAS No:
88-72-2
Formula:
C7H7NO2
Chemical Name:
2-Nitrotoluene
Synonyms:
Benzene,1-methyl-2-nitro-;Toluene,o-nitro-;1-Methyl-2-nitrobenzene;o-Methylnitrobenzene;o-Nitrotoluene;2-Nitrotoluene;2-Methyl-1-nitrobenzene;2-Methylnitrobenzene;o-Mononitrotoluene;NSC 9577;57158-05-1
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

O-nitrotoluene is also known as 2-nitrotoluene or 1-methyl-2-nitrobenzene，and is yellow oily transparent liquid. It has the smell of nitrobenzene. The relative density is 1.1629. The melting point is-2.9℃ (α-type, stable type),-9.5℃ (β-type, non-stable type). The boiling point is 221.7 °C, 118 °C (2.133×103Pa) and 50.0 °C (0.133×103Pa). The flash point is 106.1 °C (closed system). The refractive index is 1.5450. The viscosity is 0.0262 mPa•s (15℃). The vapor pressure (×103 Pa) is 10.906 (5℃), 1

2-Nitrotoluene Basic Attributes

Molecular Weight：

137.14

Exact Mass：

137.14

BRN：

1907580

EC Number：

201-853-3

HScode：

29042000

Characteristics

PSA：

45.8

XLogP3：

2.3

Appearance：

Clear yellow to yellow-green Liquid

Density：

1.1622 g/cm³ @ Temp: 19 °C

Melting Point：

-10 °C

Boiling Point：

222 °C

Flash Point：

223 °F

Refractive Index：

n20/D 1.546(lit.)

Water Solubility：

H2O: 0.44 g/L (20 ºC)

Storage Conditions：

2-8°C

Vapor Pressure：

Vapour pressure, kPa at 20°C: 0.02

Vapor Density：

4.72

Toxicity：

Oral-rat LD50: 891 mg/kg; Oral-Mouse LD50: 970 mg/kg

Flammability characteristics：

Open flame is flammable; burning produces toxic nitrogen oxide fumes

Explosive limit：

1.47-8.8%(V)

Odor：

Weak, aromatic odor

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 1664 6.1/PG 2

wgk germany：

hazard class code：

45-46-22-51/53-62-36/37/38-23/24/25-11-36-20/21/22

safety instructions：

53-45-61-27-16-36/37-26

RTECS Number：

XT3150000

Marks：

T,N,F

Storage features：

Treasury is ventilated at low temperature and dry; stored separately from oxidants and food additives

Explosive characteristics：

Explosive when mixed with air; explodes in heat

Stability/Shelf Life：

Stable. Combustible. Incompatible with oxidizing agents, strong bases, sulfuric acid, reducing agents, hydrogen, sodium.

Precautionary statement(s)：

P201-P273-P281-P308 + P313

Hazard Statements：

H302-H340-H350-H361-H411

Toxicity

Toxicity class：

moderately toxic

2-Nitrotoluene Use and Manufacturing

Methods of Manufacturing

Toluene is nitrated with mixed acid to produce mixed nitrotoluene, which is mainly o-nitrotoluene (approximately two-thirds) and p-nitrotoluene (approximately one-third). The pure product can be obtained after separation. Add toluene to the reactor, cool to below 25°C, add the mixed acid (ie, nitric acid 25-30%, sulfuric acid 55-58% and water 20-21%), and adjust the temperature not to exceed 50°C. Stir continuously for 1-2h, then let stand for 6h, separate the generated nitrotoluene, wash with water and alkaline to remove unreacted toluene and aliphatic compounds. The composition of crude nitrotoluene product is o-nitrotoluene 55-60 %, median 2-5%, counterpoint 35-40%. The yield is 90-95%. By using the difference between boiling point and melting point for rough distillation and crystallization, each isomer can be separated. That is, the crude nitrotoluene is first vacuum-distilled to separate most of the o-nitrotoluene, and the remaining fractions containing more p-nitrotoluene are separated by vacuum distillation, cooled, crystallized, and separated. Finished product. The tar-like substance with a high boiling point remains in the distillation pot. The meta-nitrotoluene is contained in the mother liquor after the separation of the counterparts, and is obtained after repeated accumulation and rectification. The purity of ortho and para-nitrotoluene can reach 98% and 99%, respectively. The domestic process of the cheese process is two pots connected in series, the reaction temperature of the main pot is 40-45℃, and the secondary pot is 50-55℃. The preparation of mixed acids is roughly the same, with nitric acid 26-28%, sulfuric acid 56-57%, and water 16-18%. Raw material consumption quota: toluene (98%) 800kg/t, nitric acid (98%) 470kg/t, sulfuric acid (92.5%) 450kg/t, caustic soda (42%) 100kg/t.

Uses

2-Nitrotoluene may be employed as nitrogen supplement in the culture medium of Pseudomonas sp. strain ClS1. It may be employed as carbon and energy supplement in the culture medium of Pseudomonas sp. strain JS42

Computed Properties

Molecular Weight:137.14
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Exact Mass:137.047678466
Monoisotopic Mass:137.047678466
Topological Polar Surface Area:45.8
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

Sodium hydroxide

Sulfuric acid

Nitric acid

o-Toluidine

Downstream Products

3-Chloro-2-methylaniline

o-Toluidine

2,4-Dichlorotoluene

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