5-Nitropyrimidin-2-ol
Basic information
- CAS
3264-10-6- Standard SMILES
O=c1ncc([N+](=O)[O-])c[nH]1- InChIKey
ZNNRVSOVVLYQBV-UHFFFAOYSA-N- Molecular formula
- C4H3N3O3
- Average molar mass
- 141.09 g/mol
- Monoisotopic mass
- 141.01744097
Names & identifiers
- Preferred name
- 5-Nitropyrimidin-2-ol
- IUPAC
- 5-nitro-1H-pyrimidin-2-one
- English name
- 5-Nitro-pyrimidin-2-ol
- Molecular formula
- C4H3N3O3
- Molecular weight
- 141.08
Names & synonyms
5-nitropyrimidin-2-olRefChem:537454856-662-32-Hydroxy-5-nitropyrimidine3264-10-65-NITRO-PYRIMIDIN-2-OL5-nitro-1H-pyrimidin-2-one5-nitro-1,2-dihydropyrimidin-2-oneMFCD090289585-NITRO-2-HYDROXYPYRIMIDINE5-Nitropyrimidin-2(1H)-one2(1H)-Pyrimidinone, 5-nitro-
Show more names
5-nitropyrimidin-2-0l2-Pyrimidinol, 5-nitro-5-nitro-2(1H)-pyrimidinone2(1H)-Pyrimidinone, 5-nitro- (9CI)
5-NITRO-2-PYRIMIDONENSC528723SCHEMBL308522SCHEMBL5322292DTXSID40326473ZNNRVSOVVLYQBV-UHFFFAOYSA-NMFCD07779237AKOS006238317
Database identifiers
- CAS
3264-10-6- PubChem CID
- 352899
- DTXSID
DTXSID40326473- EC Number
- 856-662-3
- Nikkaji
- J2.158.292A、J635.980I
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 203.5 °C · 203.5 °C
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- pka
- 6.86 · 6.86±0.10(Predicted)
- color
- Faint yellow to faint brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
0 records
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Compound notes
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