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Nitriles, nitro and azo compounds

o-Nitrocumene

Also known as 2-Nitrocumene, 1-nitro-2-propan-2-ylbenzene, 1-nitro-2-(propan-2-yl)benzene

CAS 6526-72-3Formula C9H11NO2Molar mass 165.19 g/molEC 229-415-7
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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o-Nitrocumene chemical structure, C9H11NO2, CAS 6526-72-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6526-72-3
Formula
C9H11NO2
Molar mass
165.19 g/mol
EC number
229-415-7
HS code
290420
Category
Nitriles, nitro and azo compounds

What is o-Nitrocumene?

Plain description, key identifiers and synonyms

o-Nitrocumene is a chemical substance with the molecular formula C9H11NO2 and a molar mass of 165.19 g/mol. Its CAS registry number is 6526-72-3. The IUPAC name is 1-nitro-2-propan-2-ylbenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-nitro-2-propan-2-ylbenzene
CAS number
6526-72-3 CAS number cross-checked
EC number
229-415-7
Molecular formula
C9H11NO2
UNII
38NGV5BZ8W
MDL number
MFCD00039739
InChIKey
BSMKYQUHXQAVKG-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3
SMILES (canonical and isomeric)
CC(C)C1=CC=CC=C1[N+](=O)[O-]

Synonyms

  • 2-Nitrocumene
  • 1-nitro-2-propan-2-ylbenzene
  • 1-nitro-2-(propan-2-yl)benzene
  • Cumene, o-nitro-
  • 1-(1-Methylethyl)-2-nitrobenzene
  • 2-Isopropyl-1-nitrobenzene
  • 1-Isopropyl-2-nitrobenzene
  • 2-Isopropylnitrobenzene
  • 2-Nitroisopropylbenzene
  • o-Isopropylnitrobenzene
  • o-Nitroisopropylbenzene
  • Benzene, 1-(1-methylethyl)-2-nitro-
  • nitrocumene
  • 1-Isopropyl-2-nitro-benzene
  • (3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylaminehydrochloride

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
165.19 g/molcalc.
Exact mass
165.079 Dacalc.
LogP (octanol/water)
2.72calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
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

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • 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.
  • 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.
  • 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

o-Nitrocumene suppliers

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

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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o-Nitrocumene price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

Frequently asked questions

Quick answers about o-Nitrocumene, based on the data on this page

What is o-Nitrocumene?

o-Nitrocumene is a chemical substance with the molecular formula C9H11NO2 and a molar mass of 165.19 g/mol. Its CAS registry number is 6526-72-3. The IUPAC name is 1-nitro-2-propan-2-ylbenzene.

What is the CAS number of o-Nitrocumene?

The CAS registry number of o-Nitrocumene is 6526-72-3.

What is the molecular formula and weight of o-Nitrocumene?

The molecular formula of o-Nitrocumene is C9H11NO2 and its molar mass is 165.19 g/mol.

What is o-Nitrocumene used for?

Known uses and roles of o-Nitrocumene include building blocks in research and laboratory and screening compounds in research and laboratory.

Is o-Nitrocumene hazardous?

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

What is the HS code of o-Nitrocumene?

o-Nitrocumene 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 o-Nitrocumene?

CompoundList lists 2 suppliers of o-Nitrocumene in China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy o-Nitrocumene in India?

1 supplier in India list o-Nitrocumene on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of o-Nitrocumene?

Suppliers quote o-Nitrocumene 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 o-Nitrocumene

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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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