3,5-Dimethyl-4-nitrophenol
- Product Name
- 3,5-Dimethyl-4-nitrophenol
- CAS No.
- 5344-97-8
- Chemical Name
- 3,5-Dimethyl-4-nitrophenol
- Synonyms
- 3,5-Dimethyl-4-nitropheno;3,5-Dimethyl-4-nitrophenol;Phenol, 3,5-diMethyl-4-nitro-
- CBNumber
- CB92498734
- Molecular Formula
- C8H9NO3
- Formula Weight
- 167.16
- MOL File
- 5344-97-8.mol
3,5-Dimethyl-4-nitrophenol Property
- Melting point:
- 107-108 °C(Solv: hydrochloric acid (7647-01-0))
- Boiling point:
- 311.8±30.0 °C(Predicted)
- Density
- 1.263±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Dichloromethane, Methanol
- pka
- pK1:8.245 (25°C)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3
- InChIKey
- MMLPWOHLKRXZJA-UHFFFAOYSA-N
- SMILES
- C1(O)=CC(C)=C([N+]([O-])=O)C(C)=C1
Safety
- HS Code
- 2908990000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- D480393
- Product name
- 3,5-Dimethyl-4-nitrosophenol
- Packaging
- 5g
- Price
- $220
- Updated
- 2021/12/16
- Product number
- X8326
- Product name
- 3,5-Dimethyl-4-nitrophenol
- Packaging
- 1g
- Price
- $66
- Updated
- 2021/12/16
- Product number
- FD64437
- Product name
- 3,5-Dimethyl-4-nitrophenol
- Packaging
- 250mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- CS-0061140
- Product name
- 3,5-Dimethyl-4-nitrophenol
- Purity
- 99.33%
- Packaging
- 10g
- Price
- $278
- Updated
- 2021/12/16
- Product number
- FD64437
- Product name
- 3,5-Dimethyl-4-nitrophenol
- Packaging
- 5G
- Price
- $400
- Updated
- 2021/12/16
3,5-Dimethyl-4-nitrophenol Chemical Properties,Usage,Production
Uses
3,5-Dimethyl-4-nitrosophenol is an intermediate in the synthesis of 4-Hydroxy Xylazine which is a major metabolite of Xylazine (X748000).
Synthesis
108-68-9
5344-97-8
The general procedure for the synthesis of 3,5-dimethyl-4-nitrophenol from 3,5-dimethylphenol was as follows: 3,5-dimethylphenol (50 g) was dissolved in 200 mL of methanesulfonic acid (MES03H) and the solution was cooled to 0 °C. One equivalent (34.8 g) of sodium nitrate (NaNO3) was added in batches at 0°C. After 18 hours of reaction, the reaction mixture was poured into 4 L of ice water under vigorous stirring. The upper aqueous phase was decanted. The residue was dissolved in 400 mL of ethyl acetate (EtOAc). The ethyl acetate extract was washed with saturated aqueous sodium bicarbonate (NaHCO3) (2 x 200 mL) and subsequently dried with saturated saline and anhydrous sodium sulfate (Na2SO4). Finally, purification was carried out on a silica gel column using a solvent mixture of ethyl acetate and n-heptane (4:1). The intermediate 3,5-dimethyl-4-nitrophenol 7.86 g was obtained in 11% yield.
References
[1] Patent: US6337423, 2002, B1. Location in patent: Example 4, 22
[2] Patent: WO2005/28479, 2005, A2. Location in patent: Page/Page column 54-55
[3] Journal of the American Chemical Society, 1977, vol. 99, # 15, p. 5146 - 5151
[4] Patent: US6462034, 2002, B1
3,5-Dimethyl-4-nitrophenol Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3,5-Dimethyl-4-nitrophenol manufacturers
- Product
- 3,5-Dimethyl-4-nitrophenol 5344-97-8
- Price
- US $2.20-8.80/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2025-06-17
- Product
- 3,5-Dimethyl-4-nitrophenol 5344-97-8
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 10000KGS
- Release date
- 2025-02-18
- Product
- 3,5-Dimethyl-4-nitrophenol 5344-97-8
- Price
- US $15.00/Kg/Bag
- Min. Order
- 25Kg/Bag
- Purity
- 99%
- Supply Ability
- 20 Tons
- Release date
- 2020-11-13