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1,2-Dinitrobenzene chemical structure, C6H4N2O4, CAS 528-29-0
2D chemical structure

Key facts

What buyers check first

Appearance
Colorless or yellow crystals, needles or plates
Melting point
117 to 118.5
Boiling point
319 °C
Density
1.3119 g/cm³
Flash point
150 °C
HS code
290420
Category
Nitriles, nitro and azo compounds
UN number
UN 3443
Illustrative photo, colourless crystals in an open woven sack in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 1,2-Dinitrobenzene?

Plain description, key identifiers and synonyms

1,2-dinitrobenzene is a dinitrobenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,2-dinitrobenzene
CAS number
528-29-0 CAS number cross-checkedOther or deprecated CAS: 25154-54-5
EC number
208-431-8
Molecular formula
C6H4N2O4
UNII
35XUO924Y0
MDL number
MFCD00007093
InChIKey
IZUKQUVSCNEFMJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
SMILES (canonical and isomeric)
C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]

Synonyms

  • o-Dinitrobenzene
  • 1,2-Dinitrobenzol
  • Benzene, o-dinitro-
  • ortho-Dinitrobenzene
  • Benzene, 1,2-dinitro-
  • 1,2-dinitro-benzene
  • Dinitrobenzene, o-
  • o-Dintrobenzene
  • 1,2-Dinitrobenzene, 97%
  • ghl.PD_Mitscher_leg0.923
  • 1,2-Dinitrobenzene, >=99%
  • 1,2-Dinitrobenzene, analytical standard
  • 1,2-Dinitrobenzene Solution in Methanol, 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
Colorless or yellow crystals, needles or platesexp.
Melting point
117 to 118.5exp.
Boiling point
319 °Cexp.
Density
1.3119 g/cm³exp.
Flash point
150 °Cexp.
Autoignition temperature
470 °Cexp.
Solubility
1 g dissolves in 6600 ml cold water, 2700 ml boiling waterexp.
Vapour pressure
4.55 × 10⁻⁵ mm Hg @ 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
168.11 g/molcalc.
Exact mass
168.0171 Dacalc.
LogP (octanol/water)
1.5calc.
Topological polar surface area
86.28 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
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
134NFPA 704 rating

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (21)
  • P260Do not breathe 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.
  • P284In case of inadequate ventilation wear respiratory 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.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • 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 3443
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

1,2-Dinitrobenzene suppliers

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Where suppliers are based

8 suppliers in 3 countries

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1,2-Dinitrobenzene 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

Used for the synthesis of dyestuffs, dyestuff intermediates, explosives, and celluloid production.

1,2-Dinitrobenzene is used in organic synthesis & as a camphor substitute in cellulose nitrate. (Dinitrobenzene).

How it is made

Nitration of nitrobenzene with hot mixed acid. (Dinitrobenzene)

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 609-004-00-2[4]

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 1,2-Dinitrobenzene 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 1,2-Dinitrobenzene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1,2-Dinitrobenzene, based on the data on this page

What is 1,2-Dinitrobenzene?

1,2-dinitrobenzene is a dinitrobenzene.

What is the CAS number of 1,2-Dinitrobenzene?

The CAS registry number of 1,2-Dinitrobenzene is 528-29-0. Other or deprecated CAS numbers: 25154-54-5.

What is the molecular formula and weight of 1,2-Dinitrobenzene?

The molecular formula of 1,2-Dinitrobenzene is C6H4N2O4 and its molar mass is 168.11 g/mol.

What is 1,2-Dinitrobenzene used for?

Used for the synthesis of dyestuffs, dyestuff intermediates, explosives, and celluloid production. 1,2-Dinitrobenzene is used in organic synthesis & as a camphor substitute in cellulose nitrate. (Dinitrobenzene).

Is 1,2-Dinitrobenzene hazardous?

1,2-Dinitrobenzene carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1,2-Dinitrobenzene?

1,2-Dinitrobenzene 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 1,2-Dinitrobenzene?

CompoundList lists 8 suppliers of 1,2-Dinitrobenzene in China, United States and Armenia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 1,2-Dinitrobenzene?

Suppliers quote 1,2-Dinitrobenzene 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 1,2-Dinitrobenzene

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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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