HuagongsheHuagongshe Chemistry Print Report · For research reference only
Iodocyclohexane
1-IODOCYCLOHEXANE · CYCLOHEXYL IODIDE · NSC 6075 · c-C6H11I · IODOCYCLOHEXANE · iodo-cyclohexan · Cyclohexane, iodo- · Iodocyclohexane Iodocyclohexane,98+%
Identifiers & Physical Properties
| CAS No. | 626-62-0 |
|---|---|
| Molecular formula | C6H11I |
| Average molar mass | 210.06 g/mol |
| Monoisotopic mass | 209.99055 g/mol |
| SMILES | IC1CCCCC1 |
| InChIKey | FUCOMWZKWIEKRK-UHFFFAOYSA-N |
| PubChem CID | 12289 |
| EC No. | 210-957-8 |
| DTXSID | DTXSID3060821 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 46 |
| Physical Description | Pale yellow liquid[Alfa Aesar MSDS] |
| Kovats Retention Index | 10701067.4111714491405 |
| Melting point | 52℃ |
| Boiling point | 80-81 °C/20 mmHg (lit.) |
| Density | 1.624 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.5441(lit.) |
| Flash point | 161 °F |
| Storage conditions | 2-8°C |
| Solubility | Soluble in ethanol, ether, acetone. |
| Physical state | Liquid |
| Color | Clear light brown |
| Sensitivity | Light Sensitive |
| BRN | 1900797 |
| Henry's law constant | 3.9×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| InChI | InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | FUCOMWZKWIEKRK-UHFFFAOYSA-N |
| SMILES | C1(I)CCCCC1 |
| CAS DataBase Reference | 626-62-0(CAS DataBase Reference) |
| EPA Substance Registry System | Cyclohexane, iodo- (626-62-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227-H315-H319-H335 |
| GHS precautionary statements | P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P280g-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| F | 8 |
| TSCA inventory status | TSCA listed |
| Customs code | 29038900 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazards summary | A skin and strong eye irritant[Alfa Aesar MSDS] See Chlorocyclohexane. See Ethyl iodide. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.8%) |
| Threshold Limit Values (TLV) | 0.01 [ppm], inhalable fraction and vapor (iodides) |
| F | 8 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29038900 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H227-H315-H319-H335 |
| GHS precautionary statements | P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P280g-P305+P351+P338 |
Applications & Uses
Uses
Iodocyclohexane has been employed as reagent in demethylation of aryl methyl ethers in DMF under reflux condition.
General Description
The photodissociation dynamics of iodocyclohexane has been studied using velocity map imaging. Nickel catalyzed coupling of iodocyclohexane with 1-octyne has been investigated.