2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

Basic Information

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CAS Number

65-86-1

Molecular Formula

C5H4N2O4

Molecular Weight

156.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

345-346 ºC

Boiling Point

656.9°C at 760 mmHg

Density

1.6814 (rough estimate)

Flash Point

351.1ºC

Refractive Index

1.4800 (estimate)

SMILES

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OC(=O)c1cc(=O)[nH]c(=O)[nH]1

InChI

InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

InChIKey

PXQPEWDEAKTCGB-UHFFFAOYSA-N

LogP

-1.2386000000000001

Topological Polar Surface Area

103.01999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

268

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
orotic acid anhydrous
orotic acid free acid anhydrous plant*cell cultur
1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid~Uracil-4-carboxylic acid
2,4-Dioxy-6-carboxy pyrimidine
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
4-pyrimidinecarboxylic acid
Orotic acid
OROTIC ACID FREE ACID ANHYDROUS
URACIL-6-CARBOXYLIC ACID(P)
[3H]-Orotic acid
1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidine carboxylic acid
6-Carboxyuracil
6-uracilic acid
H-ORO-OH
Orodin
orodin[qr]
Oropur
orotic
Orotonin
Orotonsan
Orotsaure
Oroturic
Orotyl
Vitamin B13
2,6-Dihydroxypyrimidine-4-carboxylic acid
6-Carboxy-2,4-dihydroxypyrimidine
Uracil-6-carboxylic acid
KBM551, serum-free medium for DC and CIK DC/CIK
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid

MDL Number

MFCD00006027

FAQ

What is 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1)?

2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1) is a pyrimidine derivative with the chemical formula C5H4N2O3. It features a six-membered pyrimidine ring containing two ketone groups and a carboxylic acid functional group. This compound is commonly used as an intermediate in organic synthesis due to its reactivity and structural versatility.

What are the main uses of 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1)?

2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1) is primarily used in pharmaceutical research as a building block for synthesizing antiviral drugs like acyclovir. It also finds applications in the production of dyes, pesticides, and other organic compounds. In industrial settings, it serves as a precursor for various chemical derivatives and functional materials.

Is 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1) safe?

2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1) requires careful handling due to potential irritancy to skin, eyes, and respiratory systems. Safety data sheets (SDS) recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. While not classified as highly toxic, it should be managed under controlled conditions to comply with chemical safety standards.

How should 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1) be stored?

2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 65-86-1) should be stored in a cool, dry place away from light. It is best kept in airtight, moisture-proof containers made of glass or plastic. Avoid exposure to high temperatures and humidity to maintain stability and prevent degradation of the compound.