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Nitro-p-xylene chemical structure, C8H9NO2, CAS 89-58-7
2D chemical structure

Key facts

What buyers check first

Physical form
Liquid
Boiling point
240 to 241.1
Density
1.132 at 59 °F - Denser than water, will sink
Flash point
>93.3
Solubility
Less than 1 mg/mL at 66 °F
HS code
290420
Category
Impurities and reference standards
UN number
UN 1665
Illustrative photo, closed blue steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Nitro-p-xylene?

Plain description, key identifiers and synonyms

1,4-dimethyl-2-nitrobenzene is a clear pale yellow to amber liquid. (NTP, 1992)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,4-dimethyl-2-nitrobenzene
CAS number
89-58-7 CAS number cross-checked
EC number
201-920-7
Molecular formula
C8H9NO2
UNII
H2AU67681F
MDL number
MFCD00024284
InChIKey
BSFHJMGROOFSRA-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3
SMILES (canonical and isomeric)
CC1=CC(=C(C=C1)C)[N+](=O)[O-]

Synonyms

  • 1,4-Dimethyl-2-nitrobenzene
  • 2,5-Dimethylnitrobenzene
  • 2-Nitro-p-xylene
  • Benzene, 1,4-dimethyl-2-nitro-
  • p-Xylene, 2-nitro-
  • 2,5-Dimethyl-1-nitrobenzene
  • 2-Nitro-1,4-dimethylbenzene
  • 1-Nitro-2,5-dimethylbenzene
  • 1,4-Dimethylnitrobenzene
  • Dimethyl-2-nitrobenzene, 1,4-
  • 2-Nitro-4-xylene
  • 1,4-dimethyl-2-nitro-benzene
  • 2-Nitro-para-xylene
  • nitro p-xylene
  • Nitro-p-xylol
  • Lidocaine Impurity 45
  • 14-Dimethyl-2-nitrobenzene
  • Benzene,4-dimethyl-2-nitro-
  • Bsfhjmgroofsra-uhfffaoysa-

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

Physical form
Liquidexp.
Boiling point
240 to 241.1exp.
Density
1.132 at 59 °F - Denser than water, will sinkexp.
Flash point
>93.3exp.
Solubility
Less than 1 mg/mL at 66 °Fexp.

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
151.17 g/molcalc.
Exact mass
151.0633 Dacalc.
LogP (octanol/water)
2.21calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.25calc.
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
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (15)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1665

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

Nitro-p-xylene suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Nitro-p-xylene price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

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

Frequently asked questions

Quick answers about Nitro-p-xylene, based on the data on this page

What is Nitro-p-xylene?

1,4-dimethyl-2-nitrobenzene is a clear pale yellow to amber liquid. (NTP, 1992)

What is the CAS number of Nitro-p-xylene?

The CAS registry number of Nitro-p-xylene is 89-58-7.

What is the molecular formula and weight of Nitro-p-xylene?

The molecular formula of Nitro-p-xylene is C8H9NO2 and its molar mass is 151.17 g/mol.

Is Nitro-p-xylene hazardous?

Nitro-p-xylene carries the GHS signal word "Warning". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, harmful in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nitro-p-xylene?

Nitro-p-xylene 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 Nitro-p-xylene?

CompoundList lists 2 suppliers of Nitro-p-xylene in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nitro-p-xylene?

Suppliers quote Nitro-p-xylene 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 Nitro-p-xylene

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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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