0.5M in THF for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
2-Chlorophenylzinc iodide is an organozinc compound, which can be used as a reactant in Negishi cross-coupling reaction to construct carbon-carbon bonds by reacting with organic halides using nickel or palladium catalysts.It can also be utilized as a reactant to prepare:Arylmethanes via rhodium-catalyzed cross-coupling reaction with methyl halides.(2-chlorobenzyl)trimethylsilane by Rh-catalyzed cross-coupling reaction with (iodomethyl)trimethylsilane.Dichloro biphenyl by palladium catalyzed oxidative homocoupling reaction usingN-chlorosuccinimide (NCS) or O2as the oxidant.
| Canonical Smiles | C1=CC=C([C-]=C1)Cl.[Zn+]I |
|---|---|
| IUPAC Name | chlorobenzene;iodozinc(1+) |
| InChIKey | NNTCIUUTIPRDJR-UHFFFAOYSA-M |
| INCHI | 1S/C6H4Cl.HI.Zn/c7-6-4-2-1-3-5-6;;/h1-4H;1H;/q-1;;+2/p-1 |
| Isomeric SMILES | C1=CC=C([C-]=C1)Cl.[Zn+]I |
| PubChem CID | 4185004 |
| UN Number | 2056 |
| Molecular Weight | 303.84 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Aryl chlorides Organic transition metal salts Organic metal halides Organochlorides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Aryl halide - Aryl chloride - Organic metal halide - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organic salt - Organochloride - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
| Sensitivity | Heat sensitive |
|---|---|
| Flash Point(°F) | 1.0 °F - closed cup |
| Flash Point(°C) | -17.22 °C - closed cup |
| Molecular Weight | 303.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 301.834 Da |
| Monoisotopic Mass | 301.834 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
