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Nitriles, nitro and azo compounds

4-Nitrotoluene

Also known as 1-Methyl-4-nitrobenzene, p-Nitrotoluene, 4-Nitrotoluol

CAS 99-99-0Formula C7H7NO2Molar mass 137.14 g/molEC 202-808-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard, Hazardous to the environment 14 suppliers listed
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4-Nitrotoluene chemical structure, C7H7NO2, CAS 99-99-0
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Yellowish crystals
Melting point
51.7 °C
Boiling point
238.3 °C
Density
1.29 g/cm³
Flash point
106 °C
HS code
290420
Category
Nitriles, nitro and azo compounds
UN number
UN 1664
Illustrative photo, off-white powder in an open kraft paper sack in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is 4-Nitrotoluene?

Plain description, key identifiers and synonyms

4-nitrotoluene is a mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-methyl-4-nitrobenzene
CAS number
99-99-0 CAS number cross-checked
EC number
202-808-0
Molecular formula
C7H7NO2
UNII
E88IMG14EX
MDL number
MFCD00007366
InChIKey
ZPTVNYMJQHSSEA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)[N+](=O)[O-]

Synonyms

  • 1-Methyl-4-nitrobenzene
  • p-Nitrotoluene
  • 4-Nitrotoluol
  • 4-Methylnitrobenzene
  • Benzene, 1-methyl-4-nitro-
  • Toluene, p-nitro-
  • p-Methylnitrobenzene
  • Nitrotoluenos
  • para-Nitrotoluol
  • para-nitrotoluene
  • p-nitrophenylmethane
  • Nitrotoluene, p-
  • 1-methyl-4-nitro-benzene
  • p-Nitrotoluene Standard
  • Toluene, 4-nitro-
  • Nitrotoluene, p-isomer
  • Mononitrotoluene
  • 4-nitro toluene
  • 4-Nitrotoluene, 99%
  • 4-Nitrophenylmethane
  • p-Nitrotoluene - Melting point
  • p-Nitrotoluene, liquid or solid
  • 4-Nitrotoluene, analytical standard
  • 4-Nitrotoluene, purum, >=98.0% (GC)
  • Toluene,4-nitro mfc7 h7 n1 o2
Show all 27 synonyms
  • 4-Nitrotoluene 10 microg/mL in Acetonitrile
  • 4-Nitrotoluene Solution in Methanol, 1000_g/mL

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Yellowish crystalsexp.
Odour
Bitter almondexp.
Melting point
51.7 °Cexp.
Boiling point
238.3 °Cexp.
Density
1.29 g/cm³exp.
Flash point
106 °Cexp.
Autoignition temperature
450 °Cexp.
Solubility
In water, 442 mg/L at 30 °Cexp.
Vapour pressure
VP: 1.3 mm Hg at 65 °Cexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
137.14 g/molcalc.
Exact mass
137.0477 Dacalc.
LogP (octanol/water)
1.9calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.14calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment
131NFPA 704 rating

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (20)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1664
Transport hazard class
6.1
Packing group
II

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

4-Nitrotoluene suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Where suppliers are based

14 suppliers in 7 countries

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4-Nitrotoluene price

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Uses and applications

What the substance is used for, by industry and function

A dyestuff intermediate in producing rubber and agricultural chemicals and explosives, and as a chemical intermediate.

For production of toluidine, fuchsin, and various synthetic dyes.

4-Nitrotoluene is used principally in the production of intermediates for azo and sulfur dyes, typical intermediates are p-toluidine, p-nitrobenzaldehyde, and 4-nitro-2-chlorotoluene.

How it is made

From toluene by nitration and separation by fractional distillation.

After distillation of the meta fraction from the isomer mixture, the still residues are cooled in a crystallizer to separate technical quality 4-nitrotoluene.

Mononitrotoluenes can be produced by either a batch or continuous process. With a typical batch process, the toluene is fed into the nitrator and cooled to about 25 °C.

Read more

The nitrating acid (52-56 wt% H2SO4, 28-32 wt% HNO3, and 12-20 wt% H2O) is added slowly below the surface of the toluene and the temperature of the reaction mixture is maintained at 25 °C by adjusting the feed rate of the nitrating acid and the amount of cooling. After all of the acid is added, the temperature is raised slowly to 35-40 °C. After completion of the reaction, the reaction mixture is put into a separator where the spent acid is withdrawn from the bottom and is reconcentrated. The crude product is washed in several steps with dilute caustic and then water. The product is steam distilled to remove excess toluene and then dried by distilling the remaining traces of water. The resulting product contains 55-60 wt% o-nitrotoluene, 3-4 wt% m-nitrotoluene, and 35-40 wt% p-nitrotoluene. The yield of mononitrotoluenes is about 96%. ... The separation of the isomers is carried out by a combination of fractional distillation and crystallization.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 609-006-00-3

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 4-Nitrotoluene is traded under.

HS 2904.20Indicative HS code

Derivatives containing only nitro or only nitroso groups

World exports in 2024
$440M
+46.4% vs 2023, imports $463M
2019 to 2024
Top exporters
  1. Germany27.6%
  2. Poland17.1%
  3. Portugal16.0%
Top importers
  1. Belgium34.0%
  2. United States11.0%
  3. Germany9.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 4-Nitrotoluene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Nitrotoluene, based on the data on this page

What is 4-Nitrotoluene?

4-nitrotoluene is a mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.

What is the CAS number of 4-Nitrotoluene?

The CAS registry number of 4-Nitrotoluene is 99-99-0.

What is the molecular formula and weight of 4-Nitrotoluene?

The molecular formula of 4-Nitrotoluene is C7H7NO2 and its molar mass is 137.14 g/mol.

What is 4-Nitrotoluene used for?

A dyestuff intermediate in producing rubber and agricultural chemicals and explosives, and as a chemical intermediate. For production of toluidine, fuchsin, and various synthetic dyes.

Is 4-Nitrotoluene hazardous?

4-Nitrotoluene carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, toxic if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4-Nitrotoluene?

4-Nitrotoluene is usually classified under HS code 290420 (Derivatives containing only nitro or only nitroso groups). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Nitrotoluene?

CompoundList lists 14 suppliers of 4-Nitrotoluene in China, United States, India, Canada and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 4-Nitrotoluene in India?

2 suppliers in India list 4-Nitrotoluene on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 4-Nitrotoluene?

Suppliers quote 4-Nitrotoluene on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 4-Nitrotoluene

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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