3-IODOPHENYLACETONITRILE
Catalog No: FT-0615910
CAS No: 130723-54-5
- Molecular Formula: 243.04
- Formula Weight: C8H6IN
- Inchl Key: LVOKGAHCTHNWIL-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H6IN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Warning |
|---|---|
| FW: | 243.04400 |
| Density: | 1.764g/cm3 |
| CAS: | 130723-54-5 |
| Bolling_Point: | 138°C 12mm |
| Product_Name: | 3-iodophenylacetonitrile |
| Melting_Point: | 34-38 °C(lit.) |
| Flash_Point: | 138°C/12mm |
| MF: | C8H6IN |
| Molecular_Structure: | ['1. Molar refractive index 4862 ', '2. Molar volume 1377 ', '3. Parachor （902K）3677 ', '4. Surface tension 508 ', '5. Dielectric constant N/A ', '6. Polarizability 1927 ', '7. Single isotope mass 242954484 Da ', '8. Nominal mass 243 Da ', '9. Average mass 2430444 Da'] |
|---|---|
| Flash_Point: | 138°C/12mm |
| Refractive_Index: | 1.624 |
| FW: | 243.04400 |
| Density: | 1.764g/cm3 |
| Bolling_Point: | 138°C 12mm |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :147 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| LogP: | 2.35728 |
| Melting_Point: | 34-38 °C(lit.) |
| PSA: | 23.79000 |
| MF: | C8H6IN |
| More_Info: | ['1 . Appearance White or Yellow Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）33-35 ', '5 . Boiling point（ºC,Atmospheric pressure）138 ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Insoluble in Water '] |
| Vapor_Pressure: | 0.000674mmHg at 25°C |
| Exact_Mass: | 242.95400 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| Symbol: | Warning |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Warning_Statement: | P280-P305 + P351 + P338 |
| HS_Code: | 2926909090 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Risk_Statements(EU): | R20/21/22 |
| Safety_Statements: | S36/37 |
| RIDADR: | 3439 |
| WGK_Germany: | 3 |
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