Orotic Acid Monohydrate

Basic Information

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CAS Number

50887-69-9

Molecular Formula

C5H6N2O5

Molecular Weight

174.11 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

>300 °C

Boiling Point

656.9ºCat 760 mmHg

Density

1.642

Water Solubility

Soluble in water (1.7 mg/ml), and ammonium hydroxide. Insoluble in chloroform.

Flash Point

351.1ºC

SMILES

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

InChI

InChI=1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2

InChIKey

YXUZGLGRBBHYFZ-UHFFFAOYSA-N

LogP

-2.0633

Topological Polar Surface Area

134.51999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

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

Synonyms & References

English

OROTIC ACID MONOHYDRATE [WHO-DD]
Q27271374
91532S02AO
E76085
Orotic acid monohydrate, purum, >=97.0% (T)
2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid monohydrate
1229646-87-0
Orotic acid monohydrate, 97%
PS-8634
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid monohydrate
CS-W017528
Orotic Acid Hydrate
50887-69-9
Orotic Acid-13C,15N2 Monohydrate
J-523834
MFCD00149398
2,4-dioxo-1H-pyrimidine-6-carboxylic acid hydrate
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylicacidhydrate
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, hydrate (1:1)
UNII-91532S02AO
OROTIC ACID MONOHYDRATE [MI]
Uracil-6-carboxylic acid monohydrate
EN300-30039
FT-0673304
A828329
HY-W016812
OROTICUM ACIDUM [HPUS]
SB57725
50887-69-9 (unlabeled)
1,2,3,6-Tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid hydrate

MDL Number

MFCD00149398

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Orotic Acid Monohydrate (CAS: 50887-69-9)?

Orotic Acid Monohydrate (CAS: 50887-69-9) is a white crystalline solid with a molecular weight of 242.22 g/mol. It has a high solubility in water (12.9 g/100 mL at 25°C) and is soluble in ethanol. Chemically, it is stable under normal storage conditions but can react with strong bases to form salts.

How is Orotic Acid Monohydrate (CAS: 50887-69-9) typically synthesized?

Orotic Acid Monohydrate (CAS: 50887-69-9) is typically synthesized by the condensation of orotic acid with a suitable alcohol in the presence of a strong acid catalyst such as sulfuric acid. The yield is usually around 75-85%, and the reaction is carried out at elevated temperatures to ensure a high degree of selectivity.

What industries use Orotic Acid Monohydrate (CAS: 50887-69-9)?

Orotic Acid Monohydrate (CAS: 50887-69-9) is primarily used in the pharmaceutical industry for the synthesis of certain drugs and as a precursor in the production of other chemical compounds. It is also used in the food industry as a nutritional supplement and in the synthesis of some organic pigments.

What precautions should be taken when handling Orotic Acid Monohydrate (CAS: 50887-69-9)?

Precautions when handling Orotic Acid Monohydrate (CAS: 50887-69-9) include the use of personal protective equipment such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate safety measures, and it is advisable to keep the material away from strong bases to prevent the formation of hazardous salts. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.