| Identification | More | [Name]
4'-Hydroxy-3'-nitroacetophenone | [CAS]
6322-56-1 | [Synonyms]
1-(4-HYDROXY-3-NITRO-PHENYL)-ETHANONE
3-NITRO-4-HYDROXY ACETOPHENONE
3'-NITRO-4'-HYDROXYACETOPHENONE
4-ACETYL-2-NITRO-PHENOL
4'-HYDROXY-3'-NITROACETOPHENONE
4-HYDROXY-3-NITROACETOPHENONE
4'-Hydroxy-3'-Nitro Acetophenone 3'-Nitro-4'-Hydroxyacetophenone 4'-Hydroxy-3'-Nitroacetophenone
4'-hydroxy-3'-nitroacetophenone,1-(4-hydroxy-3-nitrophenyl)ethanone
1-(4-hydroxy-3-nitrophenyl)-1-ethanone
4'-Hydroxy-3'-nitroacetophenone | [Molecular Formula]
C8H7NO4 | [MDL Number]
MFCD00017002 | [Molecular Weight]
181.15 | [MOL File]
6322-56-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
132-135 °C(lit.) | [Boiling point ]
314.24°C (rough estimate) | [density ]
1.4283 (rough estimate) | [refractive index ]
1.5468 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate | [form ]
powder to crystal | [pka]
5.18±0.14(Predicted) | [color ]
Light yellow to Amber to Dark green | [BRN ]
1959078 | [InChI]
1S/C8H7NO4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3 | [InChIKey]
MMNKVWGVSHRIJL-UHFFFAOYSA-N | [SMILES]
CC(=O)c1ccc(O)c(c1)[N+]([O-])=O | [CAS DataBase Reference]
6322-56-1(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Hydroxy-3-nitroacetophenone(6322-56-1) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29147000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [Uses]
4′-Hydroxy-3′-nitroacetophenone may be used in chemical synthesis. | [Uses]
4’-Hydroxy-3’-nitroacetophenone, >95% (cas# 6322-56-1) is a compound useful in organic synthesis. | [Preparation]
Preparation by nitration of 4-hydroxyacetophenone. | [Synthesis]
The general procedure for the synthesis of 4'-hydroxy-3'-nitroacetophenone from p-hydroxyacetophenone was as follows: phenol (94 mg, 1 mmol) was dissolved in 3 mL of glacial acetic acid in a 50 mL test tube. Solid Y(NO3)3-6H2O (383 mg, 1 mmol) was then added and the reaction mixture was shaken continuously for 10 min at room temperature. The reaction process was monitored by thin layer chromatography (TLC) in petroleum ether with 10% ethyl acetate. After completion of the reaction, 30 mL of ice-cold water was added to the reaction mixture and allowed to stand for 15 min. The solid product was collected by filtration and washed with distilled water. The resulting solid product was used for analysis without further purification. The experimental methods for synthesizing compounds 2a-2e are detailed in Supporting Information. | [References]
[1] Synthetic Communications, 1997, vol. 27, # 19, p. 3301 - 3311
[2] Synlett, 2003, # 2, p. 191 - 194
[3] Synthetic Communications, 2008, vol. 38, # 19, p. 3366 - 3374
[4] Chinese Chemical Letters, 2011, vol. 22, # 7, p. 827 - 830
[5] Synthetic Communications, 1998, vol. 28, # 15, p. 2773 - 2781 |
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