| Identification | More | [Name]
2,6-DIMETHYL-4-NITROPHENOL | [CAS]
2423-71-4 | [Synonyms]
2,6-DIMETHYL-4-NITROPHENOL
4-NITRO-2,6-XYLENOL
2,6-Xylenol, 4-nitro-
4-Nitro-2,6-dimethylphenol
4-nitro-6-xylenol
Phenol, 2,6-dimethyl-4-nitro-
2,6-DIMETHYL-4-NITROPHENOL 98+% | [EINECS(EC#)]
219-353-9 | [Molecular Formula]
C8H9NO3 | [MDL Number]
MFCD00007339 | [Molecular Weight]
167.16 | [MOL File]
2423-71-4.mol |
| Chemical Properties | Back Directory | [Appearance]
orange crystalline powder | [Melting point ]
168 °C (dec.)(lit.) | [Boiling point ]
285.73°C (rough estimate) | [density ]
1.1820 (estimate) | [refractive index ]
1.5774 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly, Sonicated) | [form ]
Solid | [pka]
pK1:7.190 (25°C) | [color ]
Dark Yellow to Very Dark Yellow | [Water Solubility ]
Insoluble in water. | [BRN ]
1873275 | [InChI]
1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3 | [InChIKey]
FNORUNUDZNWQFF-UHFFFAOYSA-N | [SMILES]
Cc1cc(cc(C)c1O)[N+]([O-])=O | [CAS DataBase Reference]
2423-71-4(CAS DataBase Reference) |
| 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 .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
ZE8225000
| [Hazard Note ]
Irritant | [HS Code ]
29089990 | [Storage Class]
11 - Combustible Solids | [Toxicity]
mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 64, 1954. |
| Hazard Information | Back Directory | [Chemical Properties]
orange crystalline powder | [Uses]
2,6-Dimethyl-4-nitrophenol was used to study the disposition requirement for binding of p-nitrophenol and sodium p-nitrophenolate like substrates with cyclohexaamylaose. It was used as internal standard in determination of 4-nitrophenol and 3-methyl-4-nitrophenol in human urine by liquid chromatography combined with tandem mass spectrometry . | [Uses]
2,6-Dimethyl-4-nitrophenol is a useful compound for the production and characterization of bio-?oil from hardwood and softwood lignin. | [Synthesis Reference(s)]
Synthetic Communications, 16, p. 63, 1986 DOI: 10.1080/00397918608057689 | [Synthesis]
General method: A solid mixture of 2,6-dimethylphenol (1-3 eq.) and Bi(NO3)3-3H2O (1 eq.) or Fe(NO3)3-9H2O (1 eq.) was mixed with acetone (10 mL/mmol). The reaction mixture was stirred in air at room temperature or under reflux conditions for 2-24 hours (see Tables 1 and 2). Upon completion of the reaction, the insoluble material was removed by filtration through a diatomaceous earth pad and the residue was washed with acetone (~5 mL/mmol). The filtrate was treated with NaHCO3 (0.1 g/mmol) until CO2 release ceased. The insoluble material was removed by filtration again, followed by concentration under reduced pressure in a water bath at 25-35°C to remove the solvent. The nitration products were separated or purified by silica gel column chromatography to give pure phenolic compounds. All products were characterized by 1H NMR, 13C NMR and IR and identified by comparison with spectral data and melting points reported in the literature. | [References]
[1] Synthetic Communications, 2015, vol. 45, # 1, p. 143 - 150 |
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