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380490

Sigma-Aldrich

(2-Iodoethyl)benzene

97%

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About This Item

Linear Formula:
C6H5CH2CH2I
CAS Number:
17376-04-4
Molecular Weight:
232.06
MDL number:
MFCD00039408
UNSPSC Code:
12352100
PubChem Substance ID:
24863745
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.601 (lit.)

bp

122-123 °C/13 mmHg (lit.)

density

1.603 g/mL at 25 °C (lit.)

SMILES string

ICCc1ccccc1

InChI

1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI key

KVTHPKXDLVYNCH-UHFFFAOYSA-N

General description

(2-Iodoethyl)benzene is a halogenated hydrocarbon. It is reported to undergo triethyl borane-mediated intermolecular radical addition with 2H-azirine-3-carboxylate.

Application

(2-Iodoethyl)benzene is suitable for use as starting reagent in the preparation of organic-inorganic hybrid compounds such as, [C6H5CH2NH3]2PbI4, [C6H5CH2CH2SC(NH2 )2]3PbI5 and [C10H7CH2NH3]PbI3. It may be used in the preparation of dioxane-based antiviral agents.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ8909
MKCJ2944
MKCF5417
MKCF5418
MKBS0658V

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Intermolecular alkyl radical addition to methyl 2-(2, 6-dichlorophenyl)-2H-azirine-3-carboxylate.
Lemos A, et al.
Synlett, 10, 1403-1406 (2003)
Preparation and Characterization of [C6H5CH2NH3] 2PbI4,[C6H5CH2CH2SC (NH2) 2] 3PbI5 and [C10H7CH2NH3] PbI3 Organic-Inorganic Hybrid Compounds.
Papavassiliou GC, et al.
Zeitschrift fur Naturforschung, 54b, 1405-1405 (1999)
Ha Young Kim et al.
Bioorganic & medicinal chemistry letters, 15(13), 3207-3211 (2005-06-02)
Dioxane-based antiviral agents targeted to the hydrophobic binding pocket of Sindbis virus capsid protein were designed by computer graphics molecular modeling and synthesized. Virus production using SIN-IRES-Luc and capsid assembly were monitored to evaluate antiviral activity. A compound with a

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