Basic information
- CAS
15341-08-9- Standard SMILES
O=[N+]([O-])c1ccc2c(c1CO)OCO2- InChIKey
LJXBRPHBDWIHPR-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Names & identifiers
- Preferred name
- Einecs 239-376-8
- IUPAC
- (5-nitro-1,3-benzodioxol-4-yl)methanol
- English name
- 6-Nitropiperonyl alcohol
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.14
Names & synonyms
EINECS 239-376-8(6-Nitrobenzo[d][1,3]dioxol-5-yl)methanolRARECHEM AL BD 0176LABOTEST-BB LT004540636-Nitropiperonyl alcohol6-Nitropiperonyl alcohol, 98+%6-Nitro-1,3-benzodioxole-5-methanol3,4-Methylenedioxy-6-nitrobenzylalc1,3-Benzodioxole-5-methanol, 6-nitro-(6-Nitro-1,3-benzodioxol-5-yl)methanol4,5-Methylenedioxy-2-nitrobenzyl alcohol
Database identifiers
- CAS
15341-08-9- PubChem CID
- 84876
- DTXSID
DTXSID10934746
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 121 · 121-125 °C
- Boiling point
- 334.23 °C · 334.23°C (rough estimate)
- Density
- 1.5023 · 1.5023 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.65 · 13.65±0.10(Predicted)
- color
- Light Yellow to Yellow
- Sensitive
- Light Sensitive
- BRN
- 13749 · 13749
- CAS DataBase Reference
- 15341 · 15341-08-9(CAS DataBase Reference)
- Safety Statements
- 24 · 24/25
- HS Code
- 29329990 · 29329990
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
- hs_code
- 29329990
- safety_code
- 24/25
Chemistry & industry
Applications
Uses6-Nitropiperonyl alcohol is used as an organic chemical synthesis intermediate. It is also used as a biochemical for proteomics research.
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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