3,4-(Methylenedioxy)phenylacetonitrile
Catalog No: FT-0614405
CAS No: 4439-02-5
- Molecular Formula: 161.16
- Formula Weight: C9H7NO2
- Inchl Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H7NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3,6H2
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | Peperacetonitrile |
|---|---|
| Bolling_Point: | 299.7±9.0 °C at 760 mmHg |
| MF: | C9H7NO2 |
| Symbol: | GHS07 |
| Melting_Point: | 43-45 °C(lit.) |
| CAS: | 4439-02-5 |
| Density: | 1.3±0.1 g/cm3 |
| FW: | 161.157 |
| Flash_Point: | 130.5±11.9 °C |
| MF: | C9H7NO2 |
|---|---|
| Bolling_Point: | 299.7±9.0 °C at 760 mmHg |
| Exact_Mass: | 161.047684 |
| More_Info: | ['1 . Appearance White Solid ', '2 . Density不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）43-45 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,27mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）110 ', '9 . Specific rotation（º）不确定 ', '10 燃点（ºC）>110 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定'] |
| Melting_Point: | 43-45 °C(lit.) |
| PSA: | 42.25000 |
| Flash_Point: | 130.5±11.9 °C |
| Refractive_Index: | 1.575 |
| Density: | 1.3±0.1 g/cm3 |
| Molecular_Structure: | ['1 . Molar refractive index 4187 ', '2 . Molar volume （m3/mol）1268 ', '3 . Parachor （902K）3475 ', '4 . Surface tension 564 ', '5 . Polarizability （10 -24cm 3）1660'] |
| Computational_Chemistry: | ['1 . XlogP 16 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 423 ', '6 . Heavy Atom Count 12 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 208 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| FW: | 161.157 |
| LogP: | 1.31 |
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Risk_Statements(EU): | R20/21/22 |
|---|---|
| Hazard_Codes: | Xn:Harmful; |
| HS_Code: | 2932999099 |
| Packing_Group: | III |
| WGK_Germany: | 3 |
| Warning_Statement: | P280 |
| Safety_Statements: | H302 + H312 + H332 |
| Symbol: | GHS07 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard_Class: | 6.1 |
| RIDADR: | 3439 |
