3-IODO-OXETANE CAS#: 26272-85-5; ChemWhat Code: 30019
Identification
| Product Name | 3-iodooxetane |
| IUPAC Name | 3-iodooxetane |
| Molecular Structure |  |
| CAS Registry Number | 26272-85-5 |
| MDL Number | MFCD08544403 |
| Synonyms | 3-iodooxetane, 3-iodo-oxetane, 3-iodoxetane, 3-Jod-oxetan, 3-Iodoxetan |
| Molecular Formula | C3H5IO |
| Molecular Weight | 183.976 |
| InChI | InChI=1S/C3H5IO/c4-3-1-5-2-3/h3H,1-2H2 |
| InChI Key | KBEIFKMKVCDETC-UHFFFAOYSA-N |
| Canonical SMILES | C1C(CO1)I |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2016/53770 | INHIBITORS OF IRAK4 ACTIVITY | 2016 |
| US2014/371204 | 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives | 2014 |
| US2015/175604 | TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS | 2015 |
| EP2889291 | HETEROCYCLIC COMPOUND | 2015 |
| WO2014/134776 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | 2014 |
| WO2012/27322 | OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | 2012 |
| WO2012/24150 | OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION | 2012 |
Physical Data
| Appearance | Colorless to pale yellow liquid |
| Partition coefficient: noctanol/water | log Pow: 1.091 |
| Flash Point | 65.6 °C (150.1 °F) |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 159 | 760 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 2.089 | 4 | 28 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.5631 | 589 | 20 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 100 |
Route of Synthesis (ROS)
Safety and Hazards
| Pictogram(s) |   |
| Signal | Warning |
| GHS Hazard Statements | H226: Flammable liquid and vapor [Warning Flammable liquids] H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Combustible liquid, n.o.s. (3-Iodooxetane);Packaging Group: III; UN Number: 1993 |
| Under the room temperature and away from light | |
| HS Code | 294200 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD 1045/kg |
| Use Pattern |
| Used as the Pharmaceutical intermediate |
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Approved Manufacturers | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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