2(1H)-Pyridinone, 3,5-dinitro-
Basic information
- CAS
2980-33-8- Standard SMILES
O=c1[nH]cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
KSZZJOXNRQKULB-UHFFFAOYSA-N- Molecular formula
- C5H3N3O5
- Average molar mass
- 185.09 g/mol
- Monoisotopic mass
- 185.0072702
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 3,5-dinitro-
- IUPAC
- 3,5-dinitro-1H-pyridin-2-one
- English name
- 2-Hydroxy-3,5-dinitropyridine
- Molecular formula
- C5H3N3O5
- Molecular weight
- 185.09
Names & synonyms
2-Hydroxy-3,5-dinitropyridine2(1H)-Pyridinone, 3,5-dinitro-2-Pyridinol, 3,5-dinitro-3,5-Dinitro-2-hydroxypyridine3,5-dinitro-2(1H)-PyridinoneNSC 52198DTXSID1062754RefChem:439775DTXCID7038074629-225-82980-33-83,5-dinitropyridin-2-ol
Show more names
ST5409024ZINC01683863Oprea1_319758551945_ALDRICHAURORA KA-29983,5-Dinitro-2-pyridinol
3,5-dinitro-1H-pyridin-2-one3,5-Dinitro-2-pyridone3,5-dinitropyridin-2(1H)-one222548-10-9MFCD00039716NSC52198MFCD004645093,5-dinitropyridone
Database identifiers
- CAS
2980-33-8- PubChem CID
- 76324
- DTXSID
DTXSID1062754- EC Number
- 629-225-8
- Nikkaji
- J421.649K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 175 · 175-179 °C (lit.)
- Boiling point
- 319.28 °C · 319.28°C (rough estimate)
- Density
- 1.8469 · 1.8469 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
- storage temp.
- Store at room temperature
- pka
- 4.41 · 4.41±0.10(Predicted)
- form
- solid
- Appearance
- Light yellow to yellow Powder
- BRN
- 196025 · 196025
- InChI
- 1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9)
- InChIKey
- KSZZJOXNRQKULB-UHFFFAOYSA-N
- SMILES
- Oc1ncc(cc1[N+]([O-])=O)[N+]([O-])=O
- CAS DataBase Reference
- 2980 · 2980-33-8(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2(1H)-Pyridinone, 3,5-dinitro- (2980-33-8)
- UNSPSC Code
- 12352100 · 12352100
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 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (11.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29337900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Pyridinone, 3,5-dinitro-: INACTIVE
Applications
Uses2-hydroxy-3,5-dinitropyridine may be used in the preparation of bis([μ]-3,5-dinitro-pyridin-2-olato)bis-[tetra-aqua-(3,5-dinitro-pyridin-2-olato)barium(II)].
General Description2-hydroxy-3,5-dinitropyridine is an industrially important nitropyridine derivative. Its lead salt finds application in solid propellants as catalysts.
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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