Basic information
- CAS
7678-00-4- Standard SMILES
N#[N+]c1cnc([O-])[nH]c1=O.O- InChIKey
JNEOXNPOFNWQGJ-UHFFFAOYSA-N- Molecular formula
- C4H4N4O3
- Average molar mass
- 156.1 g/mol
- Monoisotopic mass
- 156.02834
Names & identifiers
- Preferred name
- 5-Diazouracil monohydrate
- IUPAC
- 5-diazonio-6-oxo-1H-pyrimidin-2-olate;hydrate
Names & synonyms
5-DIAZOURACIL MONOHYDRATERefChem:535377654-174-37678-00-4Uracil, 5-diazo-, monohydrate2,4(1H,3H)-Pyrimidinedione, 5-diazodihydro-, monohydrateSCHEMBL11596950DTXSID709981025-Diazonio-4-hydroxypyrimidin-2-olate--water (1/1)
Database identifiers
- CAS
7678-00-4- PubChem CID
- 24327
- DTXSID
DTXSID70998102- EC Number
- 654-174-3
Properties
Computed structural properties
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 281
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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