CompoundList
Sign in
Impurities and reference standards

Barbituric acid

Also known as Malonylurea, Pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione

CAS 67-52-7Formula C4H4N2O3Molar mass 128.09 g/molEC 200-658-0
GHS signal word: Warning. Pictograms: Harmful or irritant Controlled, licensed buyers only
Request as a licensed buyer Safety data
Barbituric acid chemical structure, C4H4N2O3, CAS 67-52-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
67-52-7
Formula
C4H4N2O3
Molar mass
128.09 g/mol
Physical form
Powder
HS code
293352
Category
Impurities and reference standards

What is Barbituric acid?

Plain description, key identifiers and synonyms

Barbituric acid is a barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. It has a role as a xenobiotic and an allergen. It is a conjugate acid of a barbiturate, a barbiturate(2-) and a barbiturate(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-diazinane-2,4,6-trione
CAS number
67-52-7 CAS number cross-checked
EC number
200-658-0
Molecular formula
C4H4N2O3
UNII
WQ92Y2793G
MDL number
MFCD00006666
INCI name
BARBITURIC ACID
InChIKey
HNYOPLTXPVRDBG-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
SMILES (canonical and isomeric)
C1C(=O)NC(=O)NC1=O

Synonyms

  • Malonylurea
  • Pyrimidinetrione
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione
  • pyrimidine-2,4,6(1H,3H,5H)-trione
  • Pyrimidinetriol
  • 2,4,6-Trioxohexahydropyrimidine
  • Barbiturate
  • 4,6-dihydroxy-2,5-dihydropyrimidin-2-one
  • 6-Hydroxyuracil
  • 1,3-diazinane-2,4,6-trione
  • 2,4,6-Trihydroxypyrimidine
  • 2,4,6-Pyrimidinetrione
  • Hexahydropyrimidine-2,4,6-trione
  • Malonylharnstoff
  • Barbitursaeure
  • Fluorouracil EP Impurity A
  • Barbituric acid (VAN)
  • Hydrouracil, 6-hydroxy-
  • 2,4,6-Pyrimidinetrione(1H,3H,5H)
  • Urea, N,N'-(1,3-dioxo-1,3-propanediyl)-
  • 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione
  • 1,3,5-trihydropyrimidine-2,4,6-trione
  • barbituric
  • Barbitursaure
  • pyrimidine-2
Show all 35 synonyms
  • Barbituric acid (VAN) (8CI)
  • 2,6-Pyrimidinetriol
  • 2,4,6-(1H,3H,5H)-Pyrimidinetrione
  • Fluorouracil impurity A CRS
  • 2,6-Trioxohexahydropyrimidine
  • 2-hydroxypyrimidine-4,6-dione
  • 2,6(1H,3H,5H)-Pyrimidinetrione
  • 2,6-(1H,3H,5H)-Pyrimidinetrione
  • 2,4,6-(1H,3H,5H)pyrimidinetrione
  • Barbituric acid, ReagentPlus(R), 99%

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

Physical form
Powderexp.

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
128.09 g/molcalc.
Exact mass
128.0222 Dacalc.
LogP (octanol/water)
-1.26calc.
Topological polar surface area
75.27 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
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. This chemical is the scaffold itself.

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

Barbituric acid suppliers

Controlled substance, listings of documented suppliers only, in the documented ranking

Drug precursor

Barbituric acid is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Licensed buyers only, every enquiry is reviewed by our compliance team.

Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.52 (malonylurea, a barbiturate precursor)

Our policy on controlled substances
No documented supplier lists it yet

Licensed buyers can post a request for Barbituric acid with their licence. Our compliance team reviews it before suppliers see it.

Request as a licensed buyer

Barbituric acid 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

Industrial uses: Pigment.

Cosmetic ingredient, INCI name BARBITURIC ACID(skin conditioning - emollient)

Roles

  • aetiopathogenetic role
  • allergen
  • xenobiotic

Cosmetic functions

  • Skin conditioning - emollient

Pharmacology

Barbiturate is a class of drugs characterized as central nervous system (CNS) depressants. Barbiturate compounds bind to the gamma amino butyric acid (GABA)-A receptor, thereby increasing the influx of chloride ions into the neuron and subsequently causing hyperpolarization, which produces a decrease in neuronal transmission. Other barbiturate effects in the CNS may include modulation of sodium and calcium channels as well as inhibition of glutamate-mediated excitation. Although the effects of barbiturates are seen throughout the CNS, the predominant effect occurs in the midbrain region, the part of the brain associated with arousal. CNS depressive effects associated with this drug class include mild sedation, hypnosis, anesthesia, and coma as well as a decrease in seizure activity.

Regulatory status

Inventories, regulations and trade controls that list this substance

Drug precursor

Barbituric acid is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Licensed buyers only, every enquiry is reviewed by our compliance team.

Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.52 (malonylurea, a barbiturate precursor)

Our policy on controlled substances

Health and food

  • EU cosmetic ingredient inventory

Controls

  • Drug precursor (UN 1988 Convention)

United States

  • TSCA inventory (USA)
    Status: Active 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 Barbituric acid is traded under.

HS 2933.52Exact HS code

Malonylurea (barbituric acid) and its salts

World exports in 2024
$13.3M
+12.2% vs 2023, imports $11.8M
2019 to 2024
Top exporters
  1. China73.3%
  2. South Korea20.1%
  3. Netherlands1.8%
Top importers
  1. Germany37.8%
  2. India * partner reported36.3%
  3. Japan7.4%

* Partner reported figures, a lower bound.

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

The HS code shown for Barbituric acid is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Barbituric acid, based on the data on this page

What is Barbituric acid?

Barbituric acid is a barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. It has a role as a xenobiotic and an allergen.

What is the CAS number of Barbituric acid?

The CAS registry number of Barbituric acid is 67-52-7.

What is the molecular formula and weight of Barbituric acid?

The molecular formula of Barbituric acid is C4H4N2O3 and its molar mass is 128.09 g/mol.

What is Barbituric acid used for?

Industrial uses: Pigment.

Is Barbituric acid hazardous?

Barbituric 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 Barbituric acid?

Barbituric acid is usually classified under HS code 293352 (Malonylurea (barbituric acid) and its salts). This is indicative, confirm it with your customs broker before shipping.

Can I buy Barbituric acid on CompoundList?

Barbituric acid is a controlled substance. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed by our compliance team before suppliers see it.

Guides for buyers

Practical guides that help when you source, ship or handle Barbituric acid

Request as a licensed buyer

Upload your licence with the request. Our compliance team reviews it before the documented suppliers see it.
Request as a licensed buyer
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 Barbituric acid with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/barbituric-acid-67-52-7" title="Barbituric acid 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 Impurities and reference standards or HS code 293352

Price on request
Free quotes, contact stays private
Licensed request