Basic information
- CAS
32896-90-5- Standard SMILES
Cn1cc([N+](=O)[O-])ccc1=O- InChIKey
FZYSOPYUSSFGAO-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784206
Names & identifiers
- Preferred name
- 1-methyl-5-nitro-2(1H)-pyridinone
- IUPAC
- 1-methyl-5-nitropyridin-2-one
- English name
- 5-Nitro-1-methyl-2(1H)-pyridinone
- Molecular formula
- C6H6N2O3
- Molecular weight
- 154.12
Names & synonyms
1-methyl-5-nitro-2(1H)-pyridinone32896-90-51-methyl-5-nitropyridin-2(1H)-one1-methyl-5-nitropyridin-2-one5-nitro-1-methyl-2(1H)-pyridinoneMFCD009557681-methyl-5-nitro-1,2-dihydropyridin-2-one2(1H)-Pyridinone, 1-methyl-5-nitro-1-methyl-5-nitro-1h-pyridin-2-one1-Methyl-5-nitro-2-pyridoneNSC165483SCHEMBL2070909
Show more names
1-methyl-5-nitro-pyridin-2-oneDTXSID70304345FZYSOPYUSSFGAO-UHFFFAOYSA-N5-nitro-1-methyl-2(1H)-pyridoneHBA896901-methyl-5-nitrohydropyridin-2-oneSBB086969AKOS004910220
Database identifiers
- CAS
32896-90-5- PubChem CID
- 295866
- DTXSID
DTXSID70304345- Nikkaji
- J254.303F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 287.5 · 287.5±29.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -2.69 · -2.69±0.62(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H6N2O3/c1-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3
- InChIKey
- FZYSOPYUSSFGAO-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)C=C([N+]([O-])=O)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers58 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海平创化工科技有限公司15001988657 15802146997
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
Related reactions
9 records
Compound notes
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