4-CYANO-4-PHENYLCYCLOHEXANONE
Catalog No: FT-0618293
CAS No: 25115-74-6
- Chemical Name: 4-CYANO-4-PHENYLCYCLOHEXANONE
- Molecular Formula: C13H13NO
- Molecular Weight: 199.25
- InChI Key: GKXOABVSZWCJJK-UHFFFAOYSA-N
- InChI: InChI=1S/C13H13NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2
| 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 |
| Product_Name: | 4-cyano-4-phenylcyclohexanone |
|---|---|
| Bolling_Point: | 378.6±42.0 °C at 760 mmHg |
| Density: | 1.1±0.1 g/cm3 |
| MF: | C13H13NO |
| CAS: | 25115-74-6 |
| Melting_Point: | 114-119 °C |
| Flash_Point: | 182.8±27.9 °C |
| FW: | 199.248 |
| MF: | C13H13NO |
|---|---|
| Bolling_Point: | 378.6±42.0 °C at 760 mmHg |
| Exact_Mass: | 199.099716 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)114-119 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)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(kpa,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 Unknow'] |
| Melting_Point: | 114-119 °C |
| PSA: | 40.86000 |
| Flash_Point: | 182.8±27.9 °C |
| Refractive_Index: | 1.557 |
| Density: | 1.1±0.1 g/cm3 |
| Molecular_Structure: | ['1 . Molar refractive index 5718 ', '2 . Molar volume (m3/mol)1776 ', '3 . Parachor (902K)4654 ', '4 . Surface tension 471 ', '5 . Polarizability (10 -24 cm 3)2267'] |
| Computational_Chemistry: | ['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :2 ', '6. TPSA 409 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :283 ', '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'] |
| FW: | 199.248 |
| LogP: | 1.54 |
| Vapor_Pressure: | 0.0±0.9 mmHg at 25°C |
| Risk_Statements(EU): | R36/37/38 |
|---|---|
| Hazard_Codes: | Xn |
| HS_Code: | 2926909090 |
| Hazard_Class: | 6.1 |
| Packing_Group: | III |
| Safety_Statements: | S36/37/39-S26 |
| RIDADR: | UN3439 |
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