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Heterocyclic building blocks

5-Nitrobarbituric acid

Also known as Dilituric acid, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-, 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione

CAS 480-68-2Formula C4H3N3O5Molar mass 173.08 g/molEC 207-557-0
GHS signal word: Warning. Pictograms: Harmful or irritant 3 suppliers listed
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5-Nitrobarbituric acid chemical structure, C4H3N3O5, CAS 480-68-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
480-68-2
Formula
C4H3N3O5
Molar mass
173.08 g/mol
EC number
207-557-0
HS code
293359
Category
Heterocyclic building blocks

What is 5-Nitrobarbituric acid?

Plain description, key identifiers and synonyms

5-Nitrobarbituric acid is a chemical substance with the molecular formula C4H3N3O5 and a molar mass of 173.08 g/mol. Its CAS registry number is 480-68-2. The IUPAC name is 5-nitro-1,3-diazinane-2,4,6-trione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-nitro-1,3-diazinane-2,4,6-trione
CAS number
480-68-2 CAS number cross-checked
EC number
207-557-0
Molecular formula
C4H3N3O5
UNII
8WZ923176V
MDL number
MFCD00006667
InChIKey
ABICJYZKIYUWEE-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
SMILES (canonical and isomeric)
C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-]

Synonyms

  • Dilituric acid
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-
  • 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-nitropyrimidine-2,4,6(1h,3h,5h)-trione
  • 5-nitro-1,3-diazinane-2,4,6-trione
  • 5-Nitro-6-hydroxyuracil
  • Barbituric acid, 5-nitro-
  • 5-Nitrohexahydropyrimidine-2,4,6-trione
  • 5-nitro-1,3,5-trihydropyrimidine-2,4,6-trione
  • Dilitursaure
  • 5-Nitro barbituric acid
  • 5-24-09-00105 (Beilstein Handbook Reference)
  • 2,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-
  • 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione #
  • 5-Nitropyrimidine-2,4,6(1H,3H,5H)-trione x hydrate
  • 5-Nitro-2,4,6-(1H,3H.5H)-pyrimidinetrione, Nitrobarbituric acid, 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-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
173.08 g/molcalc.
Exact mass
173.0073 Dacalc.
LogP (octanol/water)
-2calc.
Topological polar surface area
118.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
0calc.
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, O=C1CC(=O)NC(=O)N1

O=C1CC(=O)NC(=O)N1

1 ring, 9 atoms, the Barbituric acid ring system.

747 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

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • 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).
  • 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

5-Nitrobarbituric acid suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 3 countries

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5-Nitrobarbituric acid 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

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive 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 5-Nitrobarbituric acid is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for 5-Nitrobarbituric acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Nitrobarbituric acid, based on the data on this page

What is 5-Nitrobarbituric acid?

5-Nitrobarbituric acid is a chemical substance with the molecular formula C4H3N3O5 and a molar mass of 173.08 g/mol. Its CAS registry number is 480-68-2. The IUPAC name is 5-nitro-1,3-diazinane-2,4,6-trione.

What is the CAS number of 5-Nitrobarbituric acid?

The CAS registry number of 5-Nitrobarbituric acid is 480-68-2.

What is the molecular formula and weight of 5-Nitrobarbituric acid?

The molecular formula of 5-Nitrobarbituric acid is C4H3N3O5 and its molar mass is 173.08 g/mol.

What is 5-Nitrobarbituric acid used for?

Known uses and roles of 5-Nitrobarbituric acid include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 5-Nitrobarbituric acid hazardous?

5-Nitrobarbituric acid carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 5-Nitrobarbituric acid?

5-Nitrobarbituric acid is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5-Nitrobarbituric acid?

CompoundList lists 3 suppliers of 5-Nitrobarbituric acid in Germany, Netherlands 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 5-Nitrobarbituric acid?

Suppliers quote 5-Nitrobarbituric acid 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 5-Nitrobarbituric acid

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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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