Iodocyclohexane - CAS 626-62-0
Catalog: |
BB031723 |
Product Name: |
Iodocyclohexane |
CAS: |
626-62-0 |
Synonyms: |
iodocyclohexane |
IUPAC Name: | iodocyclohexane |
Description: | Iodocyclohexane (CAS# 626-62-0) is used as a reactant in the preparation of arylalkanes and phenylhexene via iron-catalyzed cross-coupling of alkyl halides with Grignard reagents. |
Molecular Weight: | 210.06 |
Molecular Formula: | C6H11I |
Canonical SMILES: | C1CCC(CC1)I |
InChI: | InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
InChI Key: | FUCOMWZKWIEKRK-UHFFFAOYSA-N |
Boiling Point: | 80-81 °C / 20 mmHg (lit.) |
Density: | 1.624 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00003826 |
LogP: | 2.75410 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480579-A | Phenolic acid active substance and preparation method and application thereof | 20210701 |
CN-112645901-A | Preparation method of 1-cyclohexyl piperazine | 20201224 |
CN-112552323-A | Preparation method of alkyl boride | 20201216 |
CN-112552323-B | Preparation method of alkyl boride | 20201216 |
CN-112390736-A | Preparation method of methyl sulfone compound | 20201209 |
PMID | Publication Date | Title | Journal |
21913768 | 20110907 | Conformer specific dissociation dynamics of iodocyclohexane studied by velocity map imaging | The Journal of chemical physics |
15678172 | 20050207 | Subtle factors are important: radical formation and transmetallation in reactions of butyl cuprates with cyclohexyl iodide | Organic & biomolecular chemistry |
15225035 | 20040707 | Evidence for a NiI active species in the catalytic cross-coupling of alkyl electrophiles | Journal of the American Chemical Society |
Complexity: | 46.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.99055 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.99055 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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