CompoundList
Sign in
Nitriles, nitro and azo compounds

4-Nitrocatechol

Also known as 4-nitrobenzene-1,2-diol, 4-Nitropyrocatechol, 1,2-Dihydroxy-4-nitrobenzene

CAS 3316-09-4Formula C6H5NO4Molar mass 155.11 g/molEC 222-009-0
GHS signal word: Warning. Pictograms: Harmful or irritant 17 suppliers listed
Get quotes Compare 17 suppliers
4-Nitrocatechol chemical structure, C6H5NO4, CAS 3316-09-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3316-09-4
Formula
C6H5NO4
Molar mass
155.11 g/mol
EC number
222-009-0
HS code
290899
Category
Nitriles, nitro and azo compounds

What is 4-Nitrocatechol?

Plain description, key identifiers and synonyms

4-nitrocatechol is a member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol. It has a role as a lipoxygenase inhibitor and a human xenobiotic metabolite. It is a member of catechols and a C-nitro compound. It is a conjugate acid of a 2-hydroxy-4-nitrophenolate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-nitrobenzene-1,2-diol
CAS number
3316-09-4 CAS number cross-checked
EC number
222-009-0
Molecular formula
C6H5NO4
UNII
SW60NG75EN
MDL number
MFCD00007242
InChIKey
XJNPNXSISMKQEX-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
SMILES (canonical and isomeric)
C1=CC(=C(C=C1[N+](=O)[O-])O)O

Synonyms

  • 4-nitrobenzene-1,2-diol
  • 4-Nitropyrocatechol
  • 1,2-Dihydroxy-4-nitrobenzene
  • 4-Nitro-1,2-benzenediol
  • 1,2-Benzenediol, 4-nitro-
  • p-Nitrocatechol
  • 3,4-Dihydroxy-1-nitrobenzene
  • 4-nitro 1,2-benzenediol
  • Nitrocatechol (mix of isomers)
  • 4-nitro-Pyrocatechol4-Nitropyrocatechol NSC 80651
  • 3,4-Dihydroxynitrobenzene
  • para-nitrocatechol
  • 1eoc
  • 4-Nitrobenzcatechin
  • 4-Nitrocatechol, 97%
  • 4-nitro-benzene-1,2-diol
  • 4-Nitro-1,2-benzenediol #
  • 4-Nitrocatechol, Sigma Grade
  • 4-Nitro-1,2-dihydroxybenzene

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
155.11 g/molcalc.
Exact mass
155.0219 Dacalc.
LogP (octanol/water)
1.01calc.
Topological polar surface area
83.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
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
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • 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.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off 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

4-Nitrocatechol suppliers

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

All 17 suppliers
17 of 17 offers

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

17 suppliers in 5 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

4-Nitrocatechol 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.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • enzyme inhibitor
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • lipoxygenase inhibitor
  • mammalian metabolite
  • metabolite
  • xenobiotic metabolite

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 4-Nitrocatechol is traded under.

HS 2908.99Indicative HS code

Halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or…

World exports in 2024
$77.7M
+4.6% vs 2023, imports $83.7M
2019 to 2024
Top exporters
  1. China32.2%
  2. India * partner reported22.2%
  3. Spain8.5%
Top importers
  1. United States13.9%
  2. Spain10.6%
  3. Turkey8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 4-Nitrocatechol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Nitrocatechol, based on the data on this page

What is 4-Nitrocatechol?

4-nitrocatechol is a member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol. It has a role as a lipoxygenase inhibitor and a human xenobiotic metabolite. It is a member of catechols and a C-nitro compound.

What is the CAS number of 4-Nitrocatechol?

The CAS registry number of 4-Nitrocatechol is 3316-09-4.

What is the molecular formula and weight of 4-Nitrocatechol?

The molecular formula of 4-Nitrocatechol is C6H5NO4 and its molar mass is 155.11 g/mol.

What is 4-Nitrocatechol used for?

Known uses and roles of 4-Nitrocatechol include building blocks in research and laboratory, screening compounds in research and laboratory, animal metabolite, enzyme inhibitor, eukaryotic metabolite and 6 more.

Is 4-Nitrocatechol hazardous?

4-Nitrocatechol carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4-Nitrocatechol?

4-Nitrocatechol is usually classified under HS code 290899 (Halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Nitrocatechol?

CompoundList lists 17 suppliers of 4-Nitrocatechol in China, United States, Canada, Germany and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Nitrocatechol?

Suppliers quote 4-Nitrocatechol 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 4-Nitrocatechol

Get quotes for 4-Nitrocatechol

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell 4-Nitrocatechol
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of 4-Nitrocatechol with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/4-nitrocatechol-3316-09-4" title="4-Nitrocatechol structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Nitriles, nitro and azo compounds or HS code 290899

17 suppliers
Free quotes, contact stays private
Get quotes