Basic information
- CAS
31221-06-4- Standard SMILES
N#[N+]c1c([O-])[nH]c(=O)[nH]c1=O- InChIKey
OAZDCJVJMWHYPJ-UHFFFAOYSA-N- Molecular formula
- C4H2N4O3
- Average molar mass
- 154.08 g/mol
- Monoisotopic mass
- 154.01268994
Names & identifiers
- Preferred name
- 5-Diazo-2,4,6(1H, 3H, 5H)-pyrimidinetrione
- IUPAC
- 5-diazonio-2,4-dioxo-1H-pyrimidin-6-olate
Names & synonyms
5-Diazo-2,4,6(1H, 3H, 5H)-pyrimidinetrioneEC 608-591-2NSC 252062RefChem:535374608-591-231221-06-4diazo-barbituratediazobarbituric acidNSC44312SCHEMBL8910625DTXSID30286234HBZLKQCYQCZGAN-UHFFFAOYSA-N
Show more names
NSC-44312NSC252062AKOS006274749NSC-2520625-Diazo-1,3-diazinane-2,4,6-trioneNS000211165-DIAZO-2,6(1H,3H,5H)-PYRIMIDINETRIONE5-DIAZO-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Database identifiers
- CAS
31221-06-4- PubChem CID
- 239349
- DTXSID
DTXSID30286234- EC Number
- 608-591-2
- Nikkaji
- J2.575.470K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 288
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 5-Diazo-2,4,6(1H, 3H, 5H)-pyrimidinetrione (EC: 608-591-2)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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