Basic information
- CAS
53967-72-9- Standard SMILES
CC(=O)c1cccc(O)c1[N+](=O)[O-]- InChIKey
BZNKOXMJWOAKKK-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Names & identifiers
- Preferred name
- 1-(3-Hydroxy-2-nitrophenyl)ethanone
- IUPAC
- 1-(3-hydroxy-2-nitrophenyl)ethanone
- English name
- 3'-Hydroxy-2'-nitroacetophenone
- Molecular formula
- C8H7NO4
- Molecular weight
- 181.15
Names & synonyms
1-(3-Hydroxy-2-nitrophenyl)ethanone53967-72-93'-Hydroxy-2'-nitroacetophenone1-(3-hydroxy-2-nitrophenyl)ethan-1-oneMFCD06251784Ethanone, 1-(3-hydroxy-2-nitrophenyl)-1-(3-hydroxy-2-nitro-phenyl)ethanoneSCHEMBL4469803BZNKOXMJWOAKKK-UHFFFAOYSA-DTXSID204697961-acetyl-3-hydroxy-2-nitrobenzeneAKOS016007168
Show more names
3-hydroxy-2-nitrophenylethanone
DS-2563AC-27176SY108583DB-345227CS-0042567ST51035791F11143F231780
Database identifiers
- CAS
53967-72-9- PubChem CID
- 11636928
- DTXSID
DTXSID20469796- Nikkaji
- J2.221.680E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 134 · 134–136°C
- Boiling point
- 323.594 · 323.594±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform, Dichloromethane
- form
- Powder
- pka
- 6.694 · 6.694±0.10(predicted)
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3''-Hydroxy-2''-nitroacetophenone (cas# 53967-72-9) is a compound useful in organic synthesis.
Preparation methods
PreparationObtained by nitration of 3-hydroxyacetophenone with cupric nitrate in acetic acid–acetic anhydride mixture, at 10–15° for 7–8 h (25%).
Upstream & downstream products
Downstream products
Suppliers33 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
苏州亚衍医药科技有限公司17715136450 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
山东益众新材料有限公司0531-69958783 15508681609 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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