Methyl 4-cyanobenzoate
Catalog No: FT-0618281
CAS No: 1129-35-7
- Molecular Formula: 161.16
- Formula Weight: C9H7NO2
- Inchl Key: KKZMIDYKRKGJHG-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/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 |
| Bolling_Point: | 274.9±0.0 °C at 760 mmHg |
|---|---|
| MF: | C9H7NO2 |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 161.157 |
| Product_Name: | Methyl 4-cyanobenzoate |
| CAS: | 1129-35-7 |
| Flash_Point: | 131.2±9.4 °C |
| Melting_Point: | 65-67 °C(lit.) |
| Bolling_Point: | 274.9±0.0 °C at 760 mmHg |
|---|---|
| LogP: | 1.85 |
| More_Info: | ['1 . Appearance 晶体状粉末 ', '2 . Density（g/cm3,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）65-67 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,12mmHg）142-144 ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC,12mm）142-144 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）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'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 501 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :208 ', '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: | 65-67 °C(lit.) |
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Exact_Mass: | 161.047684 |
| MF: | C9H7NO2 |
| Density: | 1.2±0.1 g/cm3 |
| Refractive_Index: | 1.535 |
| PSA: | 50.09000 |
| Flash_Point: | 131.2±9.4 °C |
| Molecular_Structure: | ['1 . Molar refractive index 4243 ', '2 . Molar volume （m3/mol）1362 ', '3 . Parachor （902K）2568 ', '4 . Surface tension : 470 ', '5 . Dielectric constant 无可用 ', '6 偶极距（10 -24cm 3）无可用 ', '7 . Polarizability 1682'] |
| FW: | 161.157 |
| HS_Code: | 2926909090 |
|---|---|
| RIDADR: | 3439 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Hazard_Class: | 6.1 |
| Packing_Group: | III |
| Safety_Statements: | S22-S24/25 |
| Risk_Statements(EU): | R20/21/22 |
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