Basic information
- CAS
87-39-8- Standard SMILES
O=Nc1c(O)[nH]c(=O)[nH]c1=O- InChIKey
JMUJZTASUDOAGC-UHFFFAOYSA-N- Molecular formula
- C4H3N3O4
- Average molar mass
- 157.08 g/mol
- Monoisotopic mass
- 157.01235559
Overview
See also: Violuric acid (annotation moved to).
Names & identifiers
- Preferred name
- Violuric acid
- IUPAC
- 6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione
- English name
- VIOLURIC ACID
- Molecular formula
- C4H3N3O4
- Molecular weight
- 157.08
Names & synonyms
Violuric acid87-39-85-Hydroxyiminobarbituric acidAlloxan 5-oxime5-(Hydroxyimino)pyrimidine-2,4,6(1H,3H,5H)-trione5-Isonitrosobarbituric acid2,4,5,6(1H,3H)-Pyrimidinetetrone, 5-oximeAlloxan, 5-oxime5-Nitrosopyrimidine-2,4,6-triol5-(hydroxyimino)-1,3-diazinane-2,4,6-trione5-(Hydroxyimino)barbituric acid6-hydroxy-5-nitroso-1H-pyrimidine-2,4-dione
Show more names
VLAVioluric Acid Violuric acid hydrate,95%87-39-8 C4H3N3O4 VIOLURIC ACID
05RFR8AC845-hydroxyiminohexahydropyrimidine-2,4,6-trioneNSC56338MFCD00006032NSC-56338Alloxan-5-oximeEINECS 201-741-4NSC 56338
Database identifiers
- CAS
87-39-8- PubChem CID
- 66599
- DTXSID
DTXSID8058954- UNII
- 05RFR8AC84
- Nikkaji
- J4.557H
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 240 · 240-250 °C (dec.)
- Boiling point
- 281.7 °C · 281.7°C (rough estimate)
- Density
- 1.8278 · 1.8278 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Aqueous Acid (Sparingly), DMSO (Sparingly), Methanol (Slightly)
- pka
- 4.7 · 4.7(at 25℃)
- form
- Solid
- color
- Off-White
- Water Solubility
- 7.04 g/L · 7.04g/L at 20℃
- Merck
- 10000 · 10000
- Stability
- Hygroscopic
- LogP
- -1.2 at · -1.2 at 25℃
- CAS DataBase Reference
- 87 · 87-39-8(CAS DataBase Reference)
- FDA UNII
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BA4225000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesVioluric Acid, can be used for the synthesis of some novel pyrimidines fused aza-heterocycles, having broad spectrum of pharmacological activities, such as 2-Methyloxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione (M324600).
UsesAnalytical reagent for chromatographic separation of cations. Forms chelates: Leermakers, Hoffman, J. Am. Chem. Soc. 80, 5663 (1958).
Upstream & downstream products
Upstream raw materials
Suppliers94 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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