METHYL 3-ISOCYANATOBENZOATE
Catalog No: FT-0613795
CAS No: 41221-47-0
- Molecular Formula: 177.16
- Formula Weight: C9H7NO3
- Inchl Key: WBGWGERFPSYHDT-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H7NO3/c1-13-9(12)7-3-2-4-8(5-7)10-6-11/h2-5H,1H3
| 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: | GHS08 |
|---|---|
| CAS: | 41221-47-0 |
| Flash_Point: | >230 °F |
| Product_Name: | methyl 3-isocyanatobenzoate |
| Bolling_Point: | 271.4ºC at 760 mmHg |
| FW: | 177.15700 |
| Melting_Point: | 35-38 °C(lit.) |
| MF: | C9H7NO3 |
| Density: | 1.15g/cm3 |
| Refractive_Index: | 1.528 |
|---|---|
| Flash_Point: | >230 °F |
| LogP: | 1.44050 |
| Bolling_Point: | 271.4ºC at 760 mmHg |
| FW: | 177.15700 |
| PSA: | 55.73000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 557 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :233 ', '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'] |
| Melting_Point: | 35-38 °C(lit.) |
| MF: | C9H7NO3 |
| Exact_Mass: | 177.04300 |
| Density: | 1.15g/cm3 |
| More_Info: | ['1 . Appearance Solid ', '2 . Density（g/mL,20ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）35-38 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，02mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）>230°F ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 不能溶解的'] |
| Symbol: | GHS08 |
|---|---|
| RIDADR: | 2811 |
| HS_Code: | 2929109000 |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R43 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard_Codes: | Xi: Irritant; |
| Warning_Statement: | P261-P342 + P311 |
| Safety_Statements: | H334 |
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