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2-Nitrotoluene chemical structure, C7H7NO2, CAS 88-72-2
2D chemical structure

Key facts

What buyers check first

Appearance
Yellowish liquid at ordinary temperature
Melting point
-9.6 °C
Boiling point
222 °C
Density
1.1622 at 19 °C/15 °C
Flash point
95 °C
HS code
290420
Category
Dye intermediates
UN number
UN 1664
Illustrative photo, pale yellow liquid in laboratory glassware on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is 2-Nitrotoluene?

Plain description, key identifiers and synonyms

2-nitrotoluene is a mononitrotoluene that is toluene carrying a nitro substituent at position 2. It has a role as a carcinogenic agent and an environmental contaminant.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-methyl-2-nitrobenzene
CAS number
88-72-2 CAS number cross-checkedOther or deprecated CAS: 1321-12-6
EC numbers
201-853-3, 215-311-9
Molecular formula
C7H7NO2
UNII
6Q9N88YIAY
MDL number
MFCD00007157
InChIKey
PLAZTCDQAHEYBI-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
SMILES (canonical and isomeric)
CC1=CC=CC=C1[N+](=O)[O-]

Synonyms

  • 1-Methyl-2-nitrobenzene
  • o-Nitrotoluene
  • o-Nitrotoluol
  • o-Methylnitrobenzene
  • 2-Methyl-1-nitrobenzene
  • Toluene, o-nitro-
  • 2-Methylnitrobenzene
  • 2-Nitrotoluol
  • ortho-Nitrotoluol
  • Benzene, 1-methyl-2-nitro-
  • ortho-nitrotoluene
  • o-mononitrotoluene
  • Nitrotoluene
  • 1-methyl-2-nitro-benzene
  • ONT
  • Nitrotoluene, o-
  • 2-Nitrotoluene, >=99%
  • o-NITRO TOLUENE
  • Nitrotoluene, o-isomer
  • 2-nitro toluene
  • 2-nitro-toluene
  • o-methyl nitrobenzene
  • 2-methyl-nitrobenzene
  • o-Nitrotoluene, liquid
  • Toluene,2-nitro
Show all 29 synonyms
  • Ortho nitrotoluene
  • Nitrotoluene, 2-
  • 2-Nitrotoluene, analytical standard
  • 2-Nitrotoluene Solution in Acetonitrile, 1000ug/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 liquid at ordinary temperatureexp.
Odour
Weak, aromatic odorexp.
Melting point
-9.6 °Cexp.
Boiling point
222 °Cexp.
Density
1.1622 at 19 °C/15 °Cexp.
Flash point
95 °Cexp.
Autoignition temperature
420 °Cexp.
Solubility
In water, 650 mg/L at 30 °C, 609 mg/L at 20 °Cexp.
Vapour pressure
0.185 mm Hg at 25 °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
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment
131NFPA 704 rating

Hazard statements

  • H302Harmful if swallowed.
  • H340May cause genetic defects.
  • H350May cause cancer.
  • H361fSuspected of damaging fertility.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P330Rinse mouth.
  • P391Collect spillage.
  • 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

2-Nitrotoluene suppliers

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Where suppliers are based

22 suppliers in 8 countries

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2-Nitrotoluene price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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

2-Nitrotoluene is used in the synthesis of intermediates for azo dyes, sulfur dyes, rubber chemicals, and agriculture chemicals, typical intermediates are o-toluidine, o-nitrobenzaldehyde, 2-nitro-4-chlorotoluene, 2-nitro-6-chlorotoluene, 2-amino-4-chlorotoluene (Fast Scarlet TR Base), and 2-amino-6-chlorotoluene (Fast Red KB Base).

2-Nitrotoluene derivatives are used principally as colorant intermediates.

Synthesis of explosives.

Manufacture of dyes, toluidines, nitrobenzoic acids, agricultural and rubber chemicals.

Industrial uses: Intermediate.

Roles

  • aetiopathogenetic role
  • carcinogenic agent
  • environmental contaminant

How it is made

From toluene by nitration and separation by fractional distillation.

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. 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.

Read more

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.

O-Nitrotoluene can be obtained by treating 2,4-dinitrotoluene with ammonium sulfide followed by diazotization and boiling with ethanol.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 609-065-00-5

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: 2-Nitrotoluene, Ref no: 1165, Annex ref: II/1165

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 2-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 2-Nitrotoluene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Nitrotoluene, based on the data on this page

What is 2-Nitrotoluene?

2-nitrotoluene is a mononitrotoluene that is toluene carrying a nitro substituent at position 2. It has a role as a carcinogenic agent and an environmental contaminant.

What is the CAS number of 2-Nitrotoluene?

The CAS registry number of 2-Nitrotoluene is 88-72-2. Other or deprecated CAS numbers: 1321-12-6.

What is the molecular formula and weight of 2-Nitrotoluene?

The molecular formula of 2-Nitrotoluene is C7H7NO2 and its molar mass is 137.14 g/mol.

What is 2-Nitrotoluene used for?

For production of toluidine, tolidine, fuchsin, and various synthetic dyes. 2-Nitrotoluene is used in the synthesis of intermediates for azo dyes, sulfur dyes, rubber chemicals, and agriculture chemicals, typical intermediates are o-toluidine, o-nitrobenzaldehyde, 2-nitro-4-chlorotoluene, 2-nitro-6-chlorotoluene, 2-am…

Is 2-Nitrotoluene hazardous?

2-Nitrotoluene carries the GHS signal word "Danger". Main hazards: harmful if swallowed, may cause genetic defects, may cause cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2-Nitrotoluene?

2-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 2-Nitrotoluene?

CompoundList lists 22 suppliers of 2-Nitrotoluene in China, United States, India, Canada and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 2-Nitrotoluene in India?

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What is the price of 2-Nitrotoluene?

Suppliers quote 2-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 2-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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