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4-Nitrotoluene CAS 99-99-0

4-Nitrotoluene CAS 99-99-0

4-Nitrotoluene CAS 99-99-0

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CAS number : 99-99-0


molecular formula : C7H7NO2


EINECS : 202-808-0


——————


Email : info@deshangchem.com


Mobile : +86-13153039501


TEL : +86-531-88752665


Product details

CAS number:99-99-0
molecular formula:C7H7NO2
molecular weight:137.14
EINECS number:202-808-0

English synonyms

nci9579;NCI-C60537;nitrotoluenos;para-nitrotoluol;p-Methylnitrobenzene;p-nitro-toluen;PNT;Toluene, p-nitro-

Related categories

Herbicide intermediates; pesticide intermediates; substituted urea herbicides; biochemical reagents; analytical standards; organic building blocks; toluene; agricultural and environmental standards;
4-Methylnitrobenzene;Organics;Analytical Chemistry;Environmental Endocrine Disruptors;Estradiol, etc. (Environmental Endocrine Disruptors);Solid WasteMethod Specific;2000/60/ECMore...Close...;
Gas chromatography standard (color scale); physical properties; nitro and nitroso compounds; reagents; organic raw materials; material intermediates and auxiliaries; organic chemical raw materials; impurity reference substances; kit-Elisa kit;
8000 Series Solidwaste Methods;Analytical Standards;AromaticsEnvironmental Standards;Chemical Class;Environmental Standards;European Community: ISO and DIN;ExplosivesEPA;Method 8330Alphabetic;N;NA - NIAnalytical Standards;

Introduction

p-nitrotoluene (PNT), also known as p-nitrotoluene, or 4-nitrotoluene. It is a pale yellow substance that forms rhombohedral crystals and has a somewhat pleasant, characteristic bitter almond odor. It is practically insoluble in water. p-Nitrotoluene is mainly used in the production of DSD acid and whitening agent, as well as dyes, pesticides, pharmaceuticals, intermediates for synthetic fibers, and tracers for explosives detection.

Chemical properties

Melting point

52-54 °C (lit.)

Boiling point

238 °C (lit.)

Density

1.392 g/mL at 25 °C (lit.)

Vapour density

4.7 (vs air)

Vapor Pressure

5 mm Hg ( 85 °C)

Refractive index

1.5382

Flash point

223 °F

Storage conditions

2-8°C

Solubility

0.26g/l

Shape

Crystalline Solid

Acidity coefficient(pKa)

11.27 (Perrin, 1972)

Color

Yellow

Specific gravity

1.392

Explosive limit

1.6%(V)

Water solubility

0.35 g/L (20 ºC)

Merck 

14,6650

BRN 

1906911

Henry's Law Constant

5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)

Exposure Limits

NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5 ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted).

Stability

Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents.

InChIKey

ZPTVNYMJQHSSEA-UHFFFAOYSA-N

LogP

2.37 at 25℃

CAS database

99-99-0(CAS DataBase Reference)

Use

●  p-nitrotoluene (PNT), also known as p-nitrotoluene, or 4-nitrotoluene. It is a pale yellow substance that forms rhombohedral crystals and has a somewhat pleasant, characteristic bitter almond odor. It is practically insoluble in water. p-Nitrotoluene is mainly used in the production of DSD acid and whitening agent, as well as dyes, pesticides, pharmaceuticals, intermediates for synthetic fibers, and tracers for explosives detection.

●  Used in the manufacture of p-toluene, toluene diisocyanate, etc., also used as intermediates for pesticides, dyes, pharmaceuticals, plastics and synthetic fiber additives

●  p-Nitrotoluene is an intermediate of the herbicide chlorotoluene, etc., and is also an important chemical raw material. It can produce p-toluidine, p-nitrobenzoic acid, p-nitrotoluenesulfonic acid, 2-chloro-4-nitrotoluene, 2-nitro-4-methylaniline, dinitrotoluene, etc., are also intermediates of medicines and dyes.

●  Mainly used in the manufacture of p-toluidine, toluene diisocyanate, benzidine, p-nitrobenzoic acid, p-nitrotoluene-2-sulfonic acid, 2-nitro-p-toluene, 3-chloro-4-nitrotoluene, Dinitrotoluene, etc., are also used as dye intermediates and intermediates for pesticides, pharmaceuticals, plastics and synthetic fiber additives.

●  Used as intermediates for pesticides, dyes, paints, medicines, etc.

Production method

●  Toluene is nitrated with mixed acid, separated to obtain p-nitrotoluene, and co-produced o-nitrotoluene.

●  Its preparation method is to add toluene into the nitration reaction kettle, cool to below 25°C, add the prepared mixed acid (25% to 30% of nitric acid, 55% to 58% of sulfuric acid and 20% to 21% of water), the temperature rises, and the temperature is adjusted. When the temperature does not exceed 50°C, continue to stir for 1-2 hours to complete the reaction, and let it stand for 6 hours to separate, wash with water, and wash with alkali. The crude nitrotoluene contains o-nitrotoluene, p-nitrotoluene and m-nitrotoluene. The crude nitrotoluene is vacuum distilled to separate most of the o-nitrotoluene, and the residual fraction containing more p-nitrotoluene is separated by vacuum distillation, cooled and crystallized to obtain p-nitrotoluene. The meta-nitrobenzene is obtained by rectification after accumulation in the mother liquor when the para-position is separated.


4-Nitrotoluene CAS 99-99-0

4-Nitrotoluene CAS 99-99-0

4-Nitrotoluene CAS 99-99-0

CAS number : 99-99-0


molecular formula : C7H7NO2


EINECS : 202-808-0


——————


Email : info@deshangchem.com


Mobile : +86-13153039501


TEL : +86-531-88752665


Product details

CAS number:99-99-0
molecular formula:C7H7NO2
molecular weight:137.14
EINECS number:202-808-0

English synonyms

nci9579;NCI-C60537;nitrotoluenos;para-nitrotoluol;p-Methylnitrobenzene;p-nitro-toluen;PNT;Toluene, p-nitro-

Related categories

Herbicide intermediates; pesticide intermediates; substituted urea herbicides; biochemical reagents; analytical standards; organic building blocks; toluene; agricultural and environmental standards;
4-Methylnitrobenzene;Organics;Analytical Chemistry;Environmental Endocrine Disruptors;Estradiol, etc. (Environmental Endocrine Disruptors);Solid WasteMethod Specific;2000/60/ECMore...Close...;
Gas chromatography standard (color scale); physical properties; nitro and nitroso compounds; reagents; organic raw materials; material intermediates and auxiliaries; organic chemical raw materials; impurity reference substances; kit-Elisa kit;
8000 Series Solidwaste Methods;Analytical Standards;AromaticsEnvironmental Standards;Chemical Class;Environmental Standards;European Community: ISO and DIN;ExplosivesEPA;Method 8330Alphabetic;N;NA - NIAnalytical Standards;

Introduction

p-nitrotoluene (PNT), also known as p-nitrotoluene, or 4-nitrotoluene. It is a pale yellow substance that forms rhombohedral crystals and has a somewhat pleasant, characteristic bitter almond odor. It is practically insoluble in water. p-Nitrotoluene is mainly used in the production of DSD acid and whitening agent, as well as dyes, pesticides, pharmaceuticals, intermediates for synthetic fibers, and tracers for explosives detection.

Chemical properties

Melting point

52-54 °C (lit.)

Boiling point

238 °C (lit.)

Density

1.392 g/mL at 25 °C (lit.)

Vapour density

4.7 (vs air)

Vapor Pressure

5 mm Hg ( 85 °C)

Refractive index

1.5382

Flash point

223 °F

Storage conditions

2-8°C

Solubility

0.26g/l

Shape

Crystalline Solid

Acidity coefficient(pKa)

11.27 (Perrin, 1972)

Color

Yellow

Specific gravity

1.392

Explosive limit

1.6%(V)

Water solubility

0.35 g/L (20 ºC)

Merck 

14,6650

BRN 

1906911

Henry's Law Constant

5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)

Exposure Limits

NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5 ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted).

Stability

Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents.

InChIKey

ZPTVNYMJQHSSEA-UHFFFAOYSA-N

LogP

2.37 at 25℃

CAS database

99-99-0(CAS DataBase Reference)

Use

●  p-nitrotoluene (PNT), also known as p-nitrotoluene, or 4-nitrotoluene. It is a pale yellow substance that forms rhombohedral crystals and has a somewhat pleasant, characteristic bitter almond odor. It is practically insoluble in water. p-Nitrotoluene is mainly used in the production of DSD acid and whitening agent, as well as dyes, pesticides, pharmaceuticals, intermediates for synthetic fibers, and tracers for explosives detection.

●  Used in the manufacture of p-toluene, toluene diisocyanate, etc., also used as intermediates for pesticides, dyes, pharmaceuticals, plastics and synthetic fiber additives

●  p-Nitrotoluene is an intermediate of the herbicide chlorotoluene, etc., and is also an important chemical raw material. It can produce p-toluidine, p-nitrobenzoic acid, p-nitrotoluenesulfonic acid, 2-chloro-4-nitrotoluene, 2-nitro-4-methylaniline, dinitrotoluene, etc., are also intermediates of medicines and dyes.

●  Mainly used in the manufacture of p-toluidine, toluene diisocyanate, benzidine, p-nitrobenzoic acid, p-nitrotoluene-2-sulfonic acid, 2-nitro-p-toluene, 3-chloro-4-nitrotoluene, Dinitrotoluene, etc., are also used as dye intermediates and intermediates for pesticides, pharmaceuticals, plastics and synthetic fiber additives.

●  Used as intermediates for pesticides, dyes, paints, medicines, etc.

Production method

●  Toluene is nitrated with mixed acid, separated to obtain p-nitrotoluene, and co-produced o-nitrotoluene.

●  Its preparation method is to add toluene into the nitration reaction kettle, cool to below 25°C, add the prepared mixed acid (25% to 30% of nitric acid, 55% to 58% of sulfuric acid and 20% to 21% of water), the temperature rises, and the temperature is adjusted. When the temperature does not exceed 50°C, continue to stir for 1-2 hours to complete the reaction, and let it stand for 6 hours to separate, wash with water, and wash with alkali. The crude nitrotoluene contains o-nitrotoluene, p-nitrotoluene and m-nitrotoluene. The crude nitrotoluene is vacuum distilled to separate most of the o-nitrotoluene, and the residual fraction containing more p-nitrotoluene is separated by vacuum distillation, cooled and crystallized to obtain p-nitrotoluene. The meta-nitrobenzene is obtained by rectification after accumulation in the mother liquor when the para-position is separated.


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