Basic information
- CAS
131941-21-4- Standard SMILES
CC(C)c1ccc([N+](=O)[O-])cn1- InChIKey
NHGFJXPCQGXISU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422756
Names & identifiers
- Preferred name
- 2-Isopropyl-5-nitropyridine
- IUPAC
- 5-nitro-2-propan-2-ylpyridine
- English name
- Pyridine, 2-(1-methylethyl)-5-nitro- (9CI)
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
2-isopropyl-5-nitropyridine131941-21-45-nitro-2-propan-2-ylpyridinePYRIDINE, 2-(1-METHYLETHYL)-5-NITRO- (9CI)2-isopropyl-5-nitro-pyridinePyridine, 2-(1-methylethyl)-5-nitro-5-NITRO-2-(PROPAN-2-YL)PYRIDINESCHEMBL397421SCHEMBL27587949DTXSID60667476NHGFJXPCQGXISU-UHFFFAOYSA-NGS2370
Show more names
2-(1-Methylethyl)-5-nitropyridine
AKOS006306700PB13389AC-22637P11098
Database identifiers
- CAS
131941-21-4- PubChem CID
- 45096321
- DTXSID
DTXSID60667476- Nikkaji
- J345.621H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 246.8 · 246.8±28.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.81 · 1.81±0.10(Predicted)
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
Chemistry & industry
Applications
Uses2-Isopropyl-5-nitropyridine is a useful reagent for nucleophilic reactions of electron-deficient pyridone derivatives.
Suppliers11 total
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
21 records
Compound notes
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