4,5-DICHLORO-2-NITROPHENOL

Product Name: 4,5-DICHLORO-2-NITROPHENOL
CAS No.: 39224-65-2
Chemical Name: 4,5-DICHLORO-2-NITROPHENOL
Synonyms: ,5-Dichloro-2-nitrophenol;Phenol, 4,5-dichloro-2-nitro-;4,5-Dichloro-2-nitrophenol 98%
CBNumber: CB01419744
Molecular Formula: C6H3Cl2NO3
Formula Weight: 208
MOL File: 39224-65-2.mol

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4,5-DICHLORO-2-NITROPHENOL Property

Melting point:: 82-82.5℃
Boiling point:: 274.0±35.0 °C(Predicted)
Density: 1.682±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: crystalline solid
pka: 5.31±0.27(Predicted)
color: Lemon / yellow
InChI: InChI=1S/C6H3Cl2NO3/c7-3-1-5(9(11)12)6(10)2-4(3)8/h1-2,10H
InChIKey: CEFFUJIHZMPDID-UHFFFAOYSA-N
SMILES: C1(O)=CC(Cl)=C(Cl)C=C1[N+]([O-])=O

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Safety

HS Code: 2908990000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC

Product number: D435510
Product name: 4,5-Dichloro-2-nitrophenol
Packaging: 1g
Price: $140
Updated: 2021/12/16

Apolloscientific

Product number: OR01959
Product name: 4,5-Dichloro-2-nitrophenol
Packaging: 1g
Price: $61
Updated: 2021/12/16

ChemScene

Product number: CS-0060123
Product name: 4,5-Dichloro-2-nitrophenol
Purity: 99.45%
Packaging: 1g
Price: $63
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4654-5-X7
Product name: 4,5-Dichloro-2-nitrophenol
Purity: 98%
Packaging: 1g
Price: $68
Updated: 2021/12/16

AK Scientific

Product number: X7361
Product name: 5-Dichloro-2-nitrophenol
Packaging: 100mg
Price: $84
Updated: 2021/12/16

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4,5-DICHLORO-2-NITROPHENOL Chemical Properties,Usage,Production

Uses

4,5-Dichloro-2-nitrophenol is used in the synthesis of dimethylpropanthioates as CETP inhibitors. Also used in the improved synthesis of hydroxyindoles.

Synthesis

95-77-2

39224-65-2

General procedure for the synthesis of 4,5-dichloro-2-nitrophenol from 3,4-dichlorophenol: 3,4-dichlorophenol (30 g, 185 mmol) was dissolved in dichloromethane (DCM, 300 mL) at -15 °C, followed by the addition of sulfuric acid (24 g, 278 mmol). Nitric acid (19 g, 194 mmol) was slowly added dropwise at a temperature maintained at -15 °C to -5 °C for a controlled time of 20 min or more. After the dropwise addition, the reaction mixture was continued to be stirred at 0 °C for 1 hour. After completion of the reaction, the mixture was poured into ice water and extracted with ethyl acetate. The organic layers were combined and washed sequentially with water, saturated aqueous sodium bicarbonate (NaHCO3) and brine, and then dried over anhydrous sodium sulfate (Na2SO4). The dried organic phase was concentrated under reduced pressure, and the resulting residue was purified by rapid column chromatography on silica gel (eluent ratio of petroleum ether/ethyl acetate = 100:1) to give the target product 4,5-dichloro-2-nitrophenol (16 g, 42% yield) as a solid.

References

[1] Patent: US2014/288045, 2014, A1. Location in patent: Paragraph 0455
[2] Synthesis, 2004, # 18, p. 3043 - 3046
[3] Journal of Organic Chemistry, 1996, vol. 61, # 10, p. 3289 - 3297
[4] Patent: WO2018/37223, 2018, A1. Location in patent: Page/Page column 81
[5] European Journal of Medicinal Chemistry, 2012, vol. 56, p. 108 - 119

4,5-DICHLORO-2-NITROPHENOL Preparation Products And Raw materials

Raw materials

Preparation Products

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4,5-DICHLORO-2-NITROPHENOL Suppliers

China 60 India 2 Switzerland 1 United Kingdom 2 United States 10 Global 75

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4,5-Dichloro-2-nitrophenol 98%

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,5-Dichloro-2-nitrophenol

39224-65-2