ChemicalBook--->CAS DataBase List--->214279-40-0

214279-40-0

214279-40-0 Structure

214279-40-0 Structure
IdentificationBack Directory
[Name]

3-IODO-4-NITROANISOLE
[CAS]

214279-40-0
[Synonyms]

3-Iodo-4-nitroanisol
3-IODO-4-NITROANISOLE
4-NITRO-3-IODOANISOLE
3-Iodo-4-nitroanisole,97%
3-Iodo-4-nitroanisole, 97% 5GR
2-Iodo-4-Methoxy-1-nitrobenzene
2-Iodo-4-methoxy-1-nitrobenzene, 3-Iodo-4-nitrophenyl methyl ether
[Molecular Formula]

C7H6INO3
[MDL Number]

MFCD01320682
[MOL File]

214279-40-0.mol
[Molecular Weight]

279.03
Chemical PropertiesBack Directory
[Appearance]

yellow to orange-brown crystals or
[Melting point ]

68-73 °C
[Boiling point ]

352.1±27.0 °C(Predicted)
[density ]

1.9259 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Crystals or Crystalline Powder
[color ]

Yellow to orange-brown
[InChI]

InChI=1S/C7H6INO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
[InChIKey]

NLTAHTYBZZSCIT-UHFFFAOYSA-N
[SMILES]

C1([N+]([O-])=O)=CC=C(OC)C=C1I
Hazard InformationBack Directory
[Chemical Properties]

yellow to orange-brown crystals or
[Synthesis]

Silak reaction tube equipped with a magnetic stirrer was charged with 6.2 mg of silver sulfate,21.8 mg of copper acetate, 12.5 mg of 2,9-dimethyl-1,10-o-phenanthroline,39.4 mg of 2-nitro-5-methoxybenzoic acid and 45 mg of sodium iodide4 mL of dimethyl sulfoxide. The reaction was heated at 160 ° C for 24 hours with oxygen. After the reaction, distilled water was added to quench the reaction. Extraction with ethyl acetate 3 times, each time 10mL. The combined organic phases are concentrated; 35.2 mg of 2-Iodo-4-methoxy-1-nitrobenzene was obtained in a yield of 63 percent.
[References]

[1] Patent: CN107325002, 2017, A. Location in patent: Paragraph 0133
[2] Organic and Biomolecular Chemistry, 2018, vol. 16, # 30, p. 5416 - 5421
[3] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 2794 - 2803
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

36-33-20/21/22
[Safety Statements ]

36/37-22
[WGK Germany ]

WGK 3
[HS Code ]

29093090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

5-Methoxy-2-nitrobenzoic acid-->5-METHOXY-2-NITROANILINE-->COPPER(I) ACETATE-->Sodium iodide-->Oxygen-->Silver sulfate-->Dimethyl sulfoxide-->Neocuproine
Spectrum DetailBack Directory
[Spectrum Detail]

2-Iodo-4-methoxy-1-nitrobenzene(214279-40-0)1HNMR
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