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Nitriles, nitro and azo compounds

4-Nitrophenolate

Also known as p-Nitrophenolate, 4-nitrobenzen-1-olate, p-Nitrophenolate anion

CAS 14609-74-6Formula C6H4NO3-Molar mass 138.10 g/mol
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4-Nitrophenolate chemical structure, C6H4NO3-, CAS 14609-74-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
14609-74-6
Formula
C6H4NO3-
Molar mass
138.10 g/mol
HS code
290899
Category
Nitriles, nitro and azo compounds

What is 4-Nitrophenolate?

Plain description, key identifiers and synonyms

4-nitrophenolate is a phenolate anion that is the conjugate base of 4-nitrophenol, major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 4-nitrophenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-nitrophenolate
CAS number
14609-74-6 CAS number cross-checked
Molecular formula
C6H4NO3-
InChIKey
BTJIUGUIPKRLHP-UHFFFAOYSA-M
InChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/p-1
SMILES (canonical and isomeric)
C1=CC(=CC=C1[N+](=O)[O-])[O-]

Synonyms

  • p-Nitrophenolate
  • 4-nitrobenzen-1-olate
  • p-Nitrophenolate anion
  • p-nitrophenolate ion
  • 4-nitrophenolate anion
  • p-nitrophenolate(1-)
  • 4-nitrophenolate(1-)
  • Phenol, 4-nitro-, ion(1-) (9CI)
  • p-Nitrophenoxide
  • p-Nitrophenylate
  • 4-Nitrophenoxide
  • 4-nitrobenzenolate
  • p-Nitrophenol anion
  • 4-Nitrophenol anion
  • p-Nitrophenol ion(1-)
  • 4-Nitrophenol ion(1-)
  • phenol, 4-nitro-, ion(1-)
  • Phenol, p-nitro-, ion(1-) (8CI)

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
138.10 g/molcalc.
Exact mass
138.0197 Dacalc.
LogP (octanol/water)
0.67calc.
Topological polar surface area
66.2 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
-1calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

4-Nitrophenolate suppliers

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4-Nitrophenolate 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

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • 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-Nitrophenolate 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-Nitrophenolate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is 4-Nitrophenolate?

4-nitrophenolate is a phenolate anion that is the conjugate base of 4-nitrophenol, major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 4-nitrophenol.

What is the CAS number of 4-Nitrophenolate?

The CAS registry number of 4-Nitrophenolate is 14609-74-6.

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

The molecular formula of 4-Nitrophenolate is C6H4NO3- and its molar mass is 138.10 g/mol.

What is 4-Nitrophenolate used for?

Known uses and roles of 4-Nitrophenolate include building blocks in research and laboratory, screening compounds in research and laboratory, animal metabolite, eukaryotic metabolite, human metabolite and 4 more.

Is 4-Nitrophenolate hazardous?

No GHS hazard classification for 4-Nitrophenolate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 4-Nitrophenolate?

4-Nitrophenolate 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-Nitrophenolate?

Post a free request on CompoundList and suppliers of 4-Nitrophenolate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Nitrophenolate?

Suppliers quote 4-Nitrophenolate 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-Nitrophenolate

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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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