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Heterocyclic building blocks

Nitropyrimidine

Also known as nitropyrimidines, 2-Nitropyrimidine

CAS 630123-58-9Formula C4H3N3O2Molar mass 125.09 g/molEC 619-790-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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Nitropyrimidine chemical structure, C4H3N3O2, CAS 630123-58-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
630123-58-9
Formula
C4H3N3O2
Molar mass
125.09 g/mol
EC number
619-790-9
HS code
293359
Category
Heterocyclic building blocks

What is Nitropyrimidine?

Plain description, key identifiers and synonyms

Nitropyrimidine is a chemical substance with the molecular formula C4H3N3O2 and a molar mass of 125.09 g/mol. Its CAS registry number is 630123-58-9. The IUPAC name is 2-nitropyrimidine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-nitropyrimidine
CAS number
630123-58-9Other or deprecated CAS: 55133-62-5
EC number
619-790-9
Molecular formula
C4H3N3O2
InChIKey
UQOKRDJILZMZKU-UHFFFAOYSA-N
InChI
InChI=1S/C4H3N3O2/c8-7(9)4-5-2-1-3-6-4/h1-3H
SMILES (canonical and isomeric)
C1=CN=C(N=C1)[N+](=O)[O-]

Synonyms

  • nitropyrimidines
  • 2-Nitropyrimidine

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
125.09 g/molcalc.
Exact mass
125.0225 Dacalc.
LogP (octanol/water)
0.38calc.
Topological polar surface area
68.92 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
9calc.
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, c1cncnc1

c1cncnc1

1 ring, 6 atoms, the Pyrimidine ring system.

18,999 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

Nitropyrimidine suppliers

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Nitropyrimidine 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

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

Frequently asked questions

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

What is Nitropyrimidine?

Nitropyrimidine is a chemical substance with the molecular formula C4H3N3O2 and a molar mass of 125.09 g/mol. Its CAS registry number is 630123-58-9. The IUPAC name is 2-nitropyrimidine.

What is the CAS number of Nitropyrimidine?

The CAS registry number of Nitropyrimidine is 630123-58-9. Other or deprecated CAS numbers: 55133-62-5.

What is the molecular formula and weight of Nitropyrimidine?

The molecular formula of Nitropyrimidine is C4H3N3O2 and its molar mass is 125.09 g/mol.

What is Nitropyrimidine used for?

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

Is Nitropyrimidine hazardous?

Nitropyrimidine 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 Nitropyrimidine?

Nitropyrimidine 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 Nitropyrimidine?

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What is the price of Nitropyrimidine?

Suppliers quote Nitropyrimidine 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 Nitropyrimidine

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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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