4-Iodo-2-nitrotoluene

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4-Iodo-2-nitrotoluene manufacturers

  • 2-Nitro-4-iodotoluene
  • 2-Nitro-4-iodotoluene pictures
  • $120.00
  • 2025-05-26
  • CAS:41252-97-5
  • Min. Order: 1kg
  • Purity: 0.99
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4-Iodo-2-nitrotoluene Basic information
Product Name:4-Iodo-2-nitrotoluene
Synonyms:Toluene, 4-iodo-2-nitro;4-IODO-1-METHYL-2-NITROBENZENE;4-IODO-2-NITROTOLUENE;4-Iodo-2-nitrotoluene 95%;1-Methyl-2-nitro-4-iodobenzene;2-Nitro-4-iodotoluene;3-Nitro-4-methyl-1-iodobenzene;3-Nitro-4-methylphenyl iodide
CAS:41252-97-5
MF:C7H6INO2
MW:263.03
EINECS:255-279-3
Product Categories:API intermediates
Mol File:41252-97-5.mol
4-Iodo-2-nitrotoluene Structure
4-Iodo-2-nitrotoluene Chemical Properties
Melting point 43 °C
Boiling point 286.9±20.0 °C(Predicted)
density 1.883±0.06 g/cm3(Predicted)
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility soluble in Toluene
form powder to crystal
color Light yellow to Yellow to Orange
Water Solubility Slightly soluble in water.
Sensitive Light Sensitive
CAS DataBase Reference41252-97-5(CAS DataBase Reference)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-20/21/22
Safety Statements 26-36/37/39-22
Hazard Note Irritant
HS Code 2904200090
MSDS Information
ProviderLanguage
ALFA English
4-Iodo-2-nitrotoluene Usage And Synthesis
Chemical PropertiesBrown crystalline
Uses4-Iodo-2-nitrotoluene is used to produce 3-(4-methyl-3-nitro-phenyl)-1H-indole at the temperature of 40°C.
Synthesis
4-Methyl-3-nitroaniline

119-32-4

4-Iodo-2-nitrotoluene

41252-97-5

Synthesis of 4-iodo-2-nitrotoluene: To an aqueous (40 mL) suspension of 4-methyl-3-nitroaniline (4.30 g, 28.26 mmol) cooled in an ice-water bath, 98% sulfuric acid (1.89 mL) was slowly added. Subsequently, sodium chloride was added to an ice-water bath to reduce the temperature to -2°C and a solution of NaNO2 (2.15 g, 31.10 mmol) in water (10 mL) was added at a rate that controlled the reaction temperature to not exceed -2°C. After addition, the mixture was stirred at -2°C for 45 minutes. The resulting diazonium salt solution was slowly added to the boiling NaI solution (12.89 g, 86 mmol) in batches (note: vigorous gas release). After addition, the reaction mixture was cooled to room temperature and extracted four times with dichloromethane (50 mL). The organic phases were combined, washed sequentially with saturated NaHCO3 solution (40 mL) and water (40 mL), dried over anhydrous Na2SO4 and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to afford 4-iodo-2-nitrotoluene (6.07 g, 82% yield).1H NMR (400 MHz, CDCl3): δ 8.28 (d, 1H, J = 1.8 Hz, Ar-H), 7.81 (dd, 1H, J = 2.2, 8.1 Hz, Ar-H), 7.09 (d, 1H, J = 8.1 Hz, Ar-H), 2.55 (d, 1H, J = 8.1 Hz, Ar-H), 7.09 (d, 1H, J = 8.1 Hz, Ar-H). Ar-H), 2.55 (s, 3H, CH3).

References[1] Patent: US9200319, 2015, B2. Location in patent: Page/Page column 57; 58
[2] Angewandte Chemie - International Edition, 2001, vol. 40, # 17, p. 3148 - 3151
[3] Chemistry - A European Journal, 2002, vol. 8, # 6, p. 1485 - 1499
[4] Patent: WO2010/127855, 2010, A1. Location in patent: Page/Page column 121; 122
[5] Justus Liebigs Annalen der Chemie, 1871, vol. 158, p. 337
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