5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

Basic Information

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CAS Number

703-95-7

Molecular Formula

C5H3FN2O4

Molecular Weight

174.09 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

253-266°C

Boiling Point

143°C (rough estimate)

Density

1.6154 (estimate)

Solubility

NH4OH 4 M: 50 mg/mL, clear, faintly yellow

Refractive Index

1.58

SMILES

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C1(=C(NC(=O)NC1=O)C(=O)O)F

InChI

InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)

InChIKey

SEHFUALWMUWDKS-UHFFFAOYSA-N

LogP

-1.0995000000000004

Topological Polar Surface Area

103.01999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

309

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

thermally sensitive

Synonyms & References

English

CS-W017535
AI3-26398
EN300-746693
5-Fluoroorotic acid
4-Pyrimidinecarboxylic acid,5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-
SB57260
5-Fluoroorotic acid, 98.0%+
s9873
5-Fluorouracil-4-carboxylic acid hydrate
SMR000393806
cid_69711
DTXSID90220573
AC-10068
FT-0620427
AKOS005207200
C5H3FN2O4
BDBM47470
5-Fluoroorotate
AS-14168
5-Fluoro orotic acid
Orotic acid, 5-fluoro- (VAN)
MLS000737636
5-fluoro-2,4-diketo-1H-pyrimidine-6-carboxylic acid
Q18207160
5-FLUORO-6-CARBOXYURACIL
RO-2-9945
5-FOA
ENT-26398
5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
CHEMBL1232805

MDL Number

MFCD00042526

Customs Code

2933599090

FAQ

What is 5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7)?

5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7) is a heterocyclic organic compound belonging to the pyrimidine class. It has the chemical formula C5H4FNO4 and is characterized by its fluoro-substituted pyrimidine ring with two ketone groups and a carboxylic acid group. This compound is known for its stability and is used in various chemical applications due to its reactivity and structural versatility.

What are the main uses of 5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7)?

5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7) is primarily used in pharmaceutical research as a building block for drug development, particularly in the synthesis of nucleoside analogs. It also finds applications in organic chemistry for the preparation of other fluorinated compounds and can be used in industrial processes involving chemical intermediates.

Is 5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7) safe?

5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7) is generally considered safe when handled properly. However, it should be treated with caution as it may have mild irritant properties. Safety standards recommend using appropriate personal protective equipment (PPE), such as gloves and goggles, and ensuring proper ventilation during handling. It is not classified as highly toxic but should be stored and used in accordance with standard chemical safety protocols.

How should 5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7) be stored?

5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid (CAS: 703-95-7) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture and light. Proper storage is essential to prevent degradation and ensure the compound remains effective for its intended applications.