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Aromatic building blocks

3,5-Dinitrotoluene

Also known as 1-Methyl-3,5-dinitrobenzene, Benzene, 1-methyl-3,5-dinitro-, Toluene, 3,5-dinitro-

CAS 618-85-9Formula C7H6N2O4Molar mass 182.14 g/molEC 210-566-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard 1 supplier listed
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3,5-Dinitrotoluene chemical structure, C7H6N2O4, CAS 618-85-9
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Yellow orthrhombic needles from acetic acid
Melting point
93 °C
Boiling point
315 °C
Density
1.2772 at 111 °C
Flash point
206.7 °C
HS code
290420
Category
Aromatic building blocks
Illustrative photo, yellow pigment powder in an open fibre drum in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 3,5-Dinitrotoluene?

Plain description, key identifiers and synonyms

3,5-Dinitrotoluene is a C-nitro compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-methyl-3,5-dinitrobenzene
CAS number
618-85-9 CAS number cross-checked
EC number
210-566-2
Molecular formula
C7H6N2O4
UNII
B651857LG8
MDL number
MFCD01679655
InChIKey
RUIFULUFLANOCI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
SMILES (canonical and isomeric)
CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Synonyms

  • 1-Methyl-3,5-dinitrobenzene
  • Benzene, 1-methyl-3,5-dinitro-
  • Toluene, 3,5-dinitro-
  • 3,5-DNT
  • 1-methyl-3,5-dinitro-benzene
  • 4-05-00-00867 (Beilstein Handbook Reference)
  • 5-methyl-1,3-dinitrobenzene
  • Dinitrotoluene, 3,5-
  • 3,5-Dinitrotoluene 100 microg/mL in Acetonitrile

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
Yellow orthrhombic needles from acetic acidexp.
Melting point
93 °Cexp.
Boiling point
315 °Cexp.
Density
1.2772 at 111 °Cexp.
Flash point
206.7 °Cexp.
Solubility
Soluble in benzene, ethyl ether, ethanol, chloroform, carbon disulfideexp.
Vapour pressure
4.05 × 10⁻⁴ 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
182.14 g/molcalc.
Exact mass
182.0328 Dacalc.
LogP (octanol/water)
1.81calc.
Topological polar surface area
86.28 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
13calc.
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

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
  • H341Suspected of causing genetic defects.
  • H350May cause cancer.
  • H361fSuspected of damaging fertility.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (21)
  • P203Obtain, read and follow all safety instructions before use.
  • 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.
  • P318If exposed or concerned, get medical advice.
  • 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.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

3,5-Dinitrotoluene suppliers

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Where suppliers are based

1 supplier in 1 country

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3,5-Dinitrotoluene 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

Cathodic depolarizer for magnesium batteries. Chemical intermediate.

How it is made

Nitration of nitrotoluene with mixed acid.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 609-052-00-4

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: 3,5-Dinitrotoluene, Ref no: 694, Annex ref: II/694

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3,5-Dinitrotoluene 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 3,5-Dinitrotoluene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3,5-Dinitrotoluene, based on the data on this page

What is 3,5-Dinitrotoluene?

3,5-Dinitrotoluene is a C-nitro compound.

What is the CAS number of 3,5-Dinitrotoluene?

The CAS registry number of 3,5-Dinitrotoluene is 618-85-9.

What is the molecular formula and weight of 3,5-Dinitrotoluene?

The molecular formula of 3,5-Dinitrotoluene is C7H6N2O4 and its molar mass is 182.14 g/mol.

What is 3,5-Dinitrotoluene used for?

Cathodic depolarizer for magnesium batteries. Chemical intermediate.

Is 3,5-Dinitrotoluene hazardous?

3,5-Dinitrotoluene 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 3,5-Dinitrotoluene?

3,5-Dinitrotoluene 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 3,5-Dinitrotoluene?

CompoundList lists 1 supplier of 3,5-Dinitrotoluene in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 3,5-Dinitrotoluene?

Suppliers quote 3,5-Dinitrotoluene 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 3,5-Dinitrotoluene

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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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