Iodopropynyl butylcarbamate CAS#: 55406-53-6; ChemWhat Code: 22755
Identification
| Product Name | Iodopropynyl butylcarbamate |
| IUPAC Name | 3-iodoprop-2-ynyl N-butylcarbamate |
| Molecular Structure |  |
| CAS Registry Number | 55406-53-6 |
| EINECS Number | 259-627-5 |
| MDL Number | MFCD00072438 |
| Beilstein Registry Number | No data available |
| Synonyms | 3-iodo-2-propynyl butyl carbamate3-Iodo-2-propynyl butyl carbamateIPBC |
| Molecular Formula | C8H12INO2 |
| Molecular Weight | 281.09 |
| InChI | InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11) |
| InChI Key | WYVVKGNFXHOCQV-UHFFFAOYSA-N |
| Canonical SMILES | CCCCNC(=O)OCC#CI |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| JP5698991 | Antitrichophyton composition | 2015 |
| US2012/330051 | PROCESS FOR PREPARING IODOPROPARGYL COMPOUNDS | 2012 |
Physical Data
| Appearance | Colorless or light yellow liquid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 65 – 67 |
| Density, g·cm-3 | Reference Temperature, °C |
| 1.71 | |
| 1.766 |
Spectra
| No data available |
Route of Synthesis (ROS)
| Conditions | Yield |
| With hydrogenchloride In Dimethyl ether at 120℃; for 12h; Solvent; Industrial scale; | 91% |
Safety and Hazards
| Pictogram(s) |      |
| Signal | Danger |
| GHS Hazard Statements | H302: Harmful if swallowed [Warning Acute toxicity, oral] H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P311, P314, P321, P330, P333+P313, P363, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 281.093 |
| logP | 2.729 |
| HBA | 3 |
| HBD | 1 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 38.33 |
| Rotatable Bond (RotB) | 6 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Iodopropynyl butylcarbamate CAS#: 55406-53-6 has broad-spectrum antibacterial activity, especially for molds, yeasts and algae. |
| Iodopropynyl butylcarbamate CAS#: 55406-53-6 is the most effective preservatives at present. |
| Iodopropynyl butylcarbamate CAS#: 55406-53-6 is can be used alone or in combination with Paraben, Jima Ⅱ, Jima 115, Casson, Bropol, etc. to achieve perfect anti-corrosion effect. |
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