CompoundList
Sign in
Nitriles, nitro and azo compounds

Nitrocatechol

Also known as 3-nitrobenzene-1,2-diol, 3-Nitrocatechol, 3-nitro-1,2-benzenediol

CAS 6665-98-1Formula C6H5NO4Molar mass 155.11 g/molEC 109-602-9
GHS signal word: Warning. Pictograms: Harmful or irritant 3 suppliers listed
Get quotes Compare 3 suppliers
Nitrocatechol chemical structure, C6H5NO4, CAS 6665-98-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6665-98-1
Formula
C6H5NO4
Molar mass
155.11 g/mol
EC number
109-602-9
HS code
290899
Category
Nitriles, nitro and azo compounds

What is Nitrocatechol?

Plain description, key identifiers and synonyms

Nitrocatechol is a chemical substance with the molecular formula C6H5NO4 and a molar mass of 155.11 g/mol. Its CAS registry number is 6665-98-1. The IUPAC name is 3-nitrobenzene-1,2-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-nitrobenzene-1,2-diol
CAS number
6665-98-1 CAS number cross-checkedOther or deprecated CAS: 30136-15-3
EC number
109-602-9
Molecular formula
C6H5NO4
MDL number
MFCD00463758
InChIKey
YHKWFDPEASWKFQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H
SMILES (canonical and isomeric)
C1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Synonyms

  • 3-nitrobenzene-1,2-diol
  • 3-Nitrocatechol
  • 3-nitro-1,2-benzenediol
  • 3-Nitro-benzene-1,2-diol
  • 2,3-dihydroxy-nitrobenzene
  • 1,2-Benzenediol, 3-nitro-

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

  • H319Causes serious eye irritation.
Precautionary statements (4)
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P337 + P317If eye irritation persists: Get medical help.

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

Nitrocatechol suppliers

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

All 3 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

3 suppliers in 3 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

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

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

Frequently asked questions

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

What is Nitrocatechol?

Nitrocatechol is a chemical substance with the molecular formula C6H5NO4 and a molar mass of 155.11 g/mol. Its CAS registry number is 6665-98-1. The IUPAC name is 3-nitrobenzene-1,2-diol.

What is the CAS number of Nitrocatechol?

The CAS registry number of Nitrocatechol is 6665-98-1. Other or deprecated CAS numbers: 30136-15-3.

What is the molecular formula and weight of Nitrocatechol?

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

What is Nitrocatechol used for?

Known uses and roles of Nitrocatechol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nitrocatechol hazardous?

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

What is the HS code of Nitrocatechol?

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 Nitrocatechol?

CompoundList lists 3 suppliers of Nitrocatechol in Australia, 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 Nitrocatechol?

Suppliers quote 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 Nitrocatechol

Get quotes for 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 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 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/nitrocatechol-6665-98-1" title="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

3 suppliers
Free quotes, contact stays private
Get quotes