Orotic acid monohydrate

Base Information

• Chemical Name: Orotic acid monohydrate
• CAS No.: 50887-69-9
• Molecular Formula: C5H4N2O4^.H2O
• Molecular Weight: 174.11
• Hs Code.: 29335990
• European Community (EC) Number: 610-580-2
• UNII: 91532S02AO
• DSSTox Substance ID: DTXSID301035192
• NCI Thesaurus Code: C87341
• Wikidata: Q27271374
• Mol file: 50887-69-9.mol

Synonyms:Orotic acid monohydrate;50887-69-9;2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate;Orotic Acid Hydrate;Lactinium;Oroticum acidum;Uracil-6-carboxylic acid monohydrate;MFCD00149398;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate;Orotic Acid-15N Monohydrate;1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid monohydrate;91532S02AO;1,2,3,4-Tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid monohydrate;2,4-dioxo-1H-pyrimidine-6-carboxylic acid hydrate;2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid monohydrate;Orotic Acid-13C,15N2 Monohydrate;2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid;1229646-87-0;UNII-91532S02AO;Orotc acd hydrate?;SCHEMBL119625;Orotic acid monohydrate, 97%;OROTICUM ACIDUM [HPUS];50887-69-9 (unlabeled);DTXSID301035192;OROTIC ACID MONOHYDRATE [MI];AKOS015901979;CS-W017528;HY-W016812;PS-8634;SB57725;orotic acid monohydrate, vitamin B~13~;OROTIC ACID MONOHYDRATE [WHO-DD];EN300-30039;E76085;Orotic acid monohydrate, purum, >=97.0% (T);A828329;J-523834;Q27271374;1,2,3,6-Tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid hydrate;2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylicacidhydrate;1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic Acid-13C,15N2 Monohydrate;4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, hydrate (1:1)

Chemical Property of Orotic acid monohydrate

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 7.6E-09mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 431.3 °C at 760 mmHg
• Flash Point: 214.6 °C
• PSA: 112.25000
• Density: 1.642 g/cm3
• LogP: -1.30290
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Aqueous Base (Slightly), DMSO (Slightly)
• Water Solubility.: Soluble in water (1.7 mg/ml), and ammonium hydroxide. Insoluble in chloroform.
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 174.02767130
• Heavy Atom Count: 12
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Orotic acid hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(NC(=O)NC1=O)C(=O)O.O
• Uses: Orotic Acid is used in the preparation of therapeutic agents for chronic obstructive pulmonary disease (COPD) treatment. Orotic acid hydrate is used in cosmetic and food industry. It is also used as a pharmaceutical intermediate.