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696-62-8

696-62-8 Structure

696-62-8 Structure
IdentificationMore
[Name]

4-Iodoanisole
[CAS]

696-62-8
[Synonyms]

1-IODO-4-METHOXYBENZENE
4-IODANISOLE
4-IODOANISOL
4-IODOANISOLE
4-IODOPHENYL METHYL ETHER
4-METHOXYIODOBENZENE
AURORA KA-7366
BENZENE, 1-IODO-4-METHOXY-
P-IODOANISOLE
1-iodo-4-methoxy-benzen
4-Iodomethoxybenzene
4-Methoxyphenyl iodide
Anisole, 4-iodo-
Anisole, p-iodo-
anisole,4-iodo-
Isoform
p-iodoanisol
p-Iodomethoxybenzene
p-Iodophenyl methyl ether
p-Methoxyiodobenzene
[EINECS(EC#)]

211-798-7
[Molecular Formula]

C7H7IO
[MDL Number]

MFCD00001056
[Molecular Weight]

234.03
[MOL File]

696-62-8.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to brown crystalline powder and chunks
[Melting point ]

50-53 °C(lit.)
[Boiling point ]

237 °C726 mm Hg(lit.)
[density ]

1.7904 (estimate)
[Fp ]

>230 °F
[storage temp. ]

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

Soluble in ethanol, ether, chloroform.
[form ]

Crystalline Powder and Chunks
[color ]

Off-white to brown
[Sensitive ]

Light Sensitive
[Usage]

Intermediates of Liquid Crystals
[BRN ]

1906692
[InChI]

1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
[InChIKey]

SYSZENVIJHPFNL-UHFFFAOYSA-N
[SMILES]

COc1ccc(I)cc1
[CAS DataBase Reference]

696-62-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-iodo-4-methoxy-(696-62-8)
[EPA Substance Registry System]

696-62-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi,Xn
[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 .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

8
[TSCA ]

Yes
[HS Code ]

29093090
[Storage Class]

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

Sodium sulfite-->Dimethyl ether-->Iodine monochloride
[Preparation Products]

Estragole-->Benzeneacetic acid, α-acetyl-4-methoxy-, ethyl ester-->4-Bromo-4'-methoxybenzophenone-->Ethyl 4-methoxycinnamate-->6-Methoxy-2-(4-methoxyphenyl)benzobithiophene-->4,4'-Dimethoxydiphenylamine-->(4-Methoxyphenylethynyl)trimethylsilane&-->4,4'-Dimethoxybiphenyl-->1H-Benzimidazole,1-butyl-(9CI)-->1-(4-Methoxyphenyl)-1H-imidazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Iodoanisole(696-62-8).msds
Questions And AnswerBack Directory
[Description]

4-Iodoanisole (chemical formula: C7H7IO) is an organic compound being soluble in ethanol, ether and chloroform. It has a wide range of medicals industrial applications. For example, it can be used as human and animal nutrition products, antiseptics, disinfectants, pharmaceutical intermediates, polarizing films for liquid crystal display (LCD) chemicals. Its iodine derivatives can also be used as organic building blocks and analytic reagents.
[References]

https://www.fishersci.pt/shop/products/4-iodoanisole-98-7/11480113
Hazard InformationBack Directory
[Chemical Properties]

off-white to brown crystalline powder and chunks
[Uses]

Intermediates of Liquid Crystals
[Uses]

suzuki reaction
[Definition]

ChEBI: (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) is a member of methoxybenzenes.
[Preparation]

4-Iodoanisole is synthesized by the reaction of anisole with iodine chloride. Add anisole to glacial acetic acid, stir and slowly add iodine chloride. After the addition was completed, the temperature was refluxed for 3.5h. Cool, pour into ice water, and precipitate p-iodoanisole. After it was separated, the free iodine was washed with 5% sodium sulfite, then washed with water, distilled under reduced pressure, and the fractions with a boiling point of 140-160 °C (5.33 kPa) were collected and cooled to 0 °C for filtration. Wash with methanol and recrystallize to obtain the finished product.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 58, p. 2058, 1993 DOI: 10.1021/jo00060a020
Tetrahedron Letters, 27, p. 3497, 1986 DOI: 10.1016/S0040-4039(00)84832-7
[Purification Methods]

Crystallise 4-iodoanisole from aqueous EtOH and/or distil it under vacuum. [Beilstein 6 H 208, 6 I 109, 6 II 199, 6 III 744, 6 IV 1075.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Iodoanisole(696-62-8)MS
4-Iodoanisole(696-62-8)1HNMR
4-Iodoanisole(696-62-8)13CNMR
4-Iodoanisole(696-62-8)IR1
4-Iodoanisole(696-62-8)IR2
4-Iodoanisole(696-62-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Iodoanisole, 98%(696-62-8)
[Alfa Aesar]

4-Iodoanisole, 98+%(696-62-8)
[Sigma Aldrich]

696-62-8(sigmaaldrich)
[TCI AMERICA]

4-Iodoanisole,>96.0%(GC)(696-62-8)
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