pentamethylbenzonitrile
Catalog No: FT-0693822
CAS No: 5144-10-5
- Chemical Name: pentamethylbenzonitrile
- Molecular Formula: C12H15N
- Molecular Weight: 173.25
- InChI Key: NCDPYDGGUAKABA-UHFFFAOYSA-N
- InChI: InChI=1S/C12H15N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h1-5H3
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 158-160ºC |
|---|---|
| CAS: | 5144-10-5 |
| MF: | C12H15N |
| Flash_Point: | 143.8ºC |
| Product_Name: | 2,3,4,5,6-pentamethylbenzonitrile |
| Density: | 0.96g/cm3 |
| FW: | 173.25400 |
| Bolling_Point: | 313.2ºC at 760mmHg |
| Refractive_Index: | 1.515 |
|---|---|
| Flash_Point: | 143.8ºC |
| LogP: | 3.10028 |
| Bolling_Point: | 313.2ºC at 760mmHg |
| PSA: | 23.79000 |
| Molecular_Structure: | ['1 . Molar refractive index 5443 ', '2 . Molar volume (m3/mol)1802 ', '3 . Parachor (902K)4443 ', '4 . Surface tension 369 ', '5 . Polarizability (10 -24cm 3)2157'] |
| Computational_Chemistry: | ['1 . XlogP 35 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 238 ', '6 . Heavy Atom Count 13 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 209 ', '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'] |
| Melting_Point: | 158-160ºC |
| MF: | C12H15N |
| Exact_Mass: | 173.12000 |
| FW: | 173.25400 |
| Density: | 0.96g/cm3 |
| More_Info: | ['1 . Appearance 晶体状粉末 ', '2 . Density不确定 ', '3 . Relative vapor density(g/mL,Atmosphere =1)不确定 ', '4 . Melting point(ºC)158-160 ', '5 . Boiling point(ºC,Atmospheric pressure)不确定 ', '6 . Boiling point(ºC,11mmHg)不确定 ', '7 折光率(nD20)不确定 ', '8 . Flash point(°C)不确定 ', '9 . Specific rotation(º, C=1, EtOH)不确定 ', '10 . Spontaneous ignition point or ignition temperature(ºC)不确定 ', '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'] |
| Hazard_Class: | 6.1 |
|---|---|
| Risk_Statements(EU): | R20/22 |
| RIDADR: | UN 3276 |
| Safety_Statements: | S22-S36/37 |
| HS_Code: | 2926909090 |
| Packing_Group: | III |
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