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1-Chloro-3-iodobenzene

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1-Chloro-3-iodobenzene manufacturers

1-Chloro-3-iodobenzene Basic information
Product Name:1-Chloro-3-iodobenzene
Synonyms:1-Chloro-3-iodobenzene, 98% clear colourless to pale yellow or pale pink liquid;oroiodobenzene;1-chloro-3-iodo-benzen;3-Chloro-1-iodobenzene;3-Iodochlorobenzene;m-Chlorophenyl iodide;M-CHLOROIODOBENZENE;1-CHLORO-3-IODOBENZENE
CAS:625-99-0
MF:C6H4ClI
MW:238.45
EINECS:210-920-6
Product Categories:alkyl Iodine| alkyl chloride;Aromatic Halides (substituted);Chlorine Compounds;Iodine Compounds;Aryl;Halogenated Hydrocarbons;C6
Mol File:625-99-0.mol
1-Chloro-3-iodobenzene Structure
1-Chloro-3-iodobenzene Chemical Properties
Melting point 95-96 °C
Boiling point 103-104 °C15 mm Hg(lit.)
density 1.926 g/mL at 25 °C(lit.)
refractive index n20/D 1.631(lit.)
Fp 215 °F
storage temp. Keep in dark place,Sealed in dry,Room Temperature
form Liquid
Specific Gravity1.926
color Clear light yellow
Water Solubility Soluble in water 67.2 mg/L.
Sensitive Light Sensitive
BRN 1904539
InChI1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyJMLWXCJXOYDXRN-UHFFFAOYSA-N
SMILESClc1cccc(I)c1
CAS DataBase Reference625-99-0(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1-chloro-3-iodo-(625-99-0)
EPA Substance Registry SystemBenzene, 1-chloro-3-iodo- (625-99-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25
WGK Germany 3
TSCA TSCA listed
HazardClass IRRITANT
HS Code 29039990
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
3-Chloroiodobenzene English
SigmaAldrich English
ACROS English
ALFA English
1-Chloro-3-iodobenzene Usage And Synthesis
Chemical PropertiesClear light yellow liquid
Usessuzuki reaction
Uses1-Chloro-3-iodobenzene is used as a pharmaceutical intermediate.
Synthesis Reference(s)Synthetic Communications, 11, p. 639, 1981 DOI: 10.1080/00397918108063637
General DescriptionThe multiple-quantum proton NMR spectra of 3-chloroiodobenzene was studied.
Synthesis
3-Chlorophenylboronic acid

63503-60-6

1-Chloro-3-iodobenzene

625-99-0

General procedure for the synthesis of m-chloroiodobenzene from 3-chlorophenylboronic acid: a mixture of arylboronic acid (0.55 mmol), KF (96 mg, 1.65 mmol) and I2 (127 mg, 0.50 mmol) in 1,4-dioxane (5 mL) was stirred and reacted for 1 hr at 80 °C. After completion of the reaction, the mixture was filtered through a silica gel column and eluted with ether (10 mL). Subsequently, the solvent was removed by rotary evaporator. For further purification, the target product, m-chloroiodobenzene, was isolated by silica gel column chromatography using petroleum ether/ether (98:2) as eluent.

References[1] Chemistry - A European Journal, 2011, vol. 17, # 20, p. 5652 - 5660
[2] Tetrahedron Letters, 2015, vol. 56, # 9, p. 1122 - 1123
[3] Synlett, 1998, # 2, p. 141 - 142
[4] Synlett, 2014, vol. 25, # 7, p. 995 - 1000
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