4-BUTYLBENZONITRILE
Catalog No: FT-0617945
CAS No: 20651-73-4
- Molecular Formula: 159.23
- Formula Weight: C11H13N
- Inchl Key: KGZNJCXNPLUEQS-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
| 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: | 261.7±19.0 °C at 760 mmHg |
|---|---|
| Symbol: | GHS07 |
| MF: | C11H13N |
| Melting_Point: | N/A |
| Flash_Point: | 112.2±14.0 °C |
| FW: | 159.228 |
| Product_Name: | 4-Butyl-Benzonitrile |
| CAS: | 20651-73-4 |
| Density: | 1.0±0.1 g/cm3 |
| PSA: | 23.79000 |
|---|---|
| Bolling_Point: | 261.7±19.0 °C at 760 mmHg |
| Molecular_Structure: | ['1 . Molar refractive index 4983 ', '2 . Molar volume (m3/mol)1656 ', '3 . Parachor (902K)4115 ', '4 表面张力(dyne/cm)380 ', '5 . Polarizability (10-24cm3)1975'] |
| LogP: | 3.71 |
| More_Info: | ['1. Appearance Unknow ', '2. Density（g/mL,25/4℃）0924 ', '3. Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4. Melting point（ºC）Unknow ', '5. Boiling point（ºC,Atmospheric pressure）132-133 ', '6. Boiling point（ºC,52kPa）Unknow ', '7. Refractive index1515 ', '8. Flash point（ºC）145 ', '9. Specific rotation（º）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 Unknow'] |
| MF: | C11H13N |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :157 ', '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'] |
| Refractive_Index: | 1.514 |
| Flash_Point: | 112.2±14.0 °C |
| FW: | 159.228 |
| Exact_Mass: | 159.104797 |
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Density: | 1.0±0.1 g/cm3 |
| Hazard_Codes: | Xn,Xi |
|---|---|
| Symbol: | GHS07 |
| WGK_Germany: | 3 |
| HS_Code: | 2926909090 |
| Hazard_Class: | 6.1 |
| Safety_Statements: | H302-H312-H315-H319-H332-H335 |
| RIDADR: | 3276 |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| Packing_Group: | III |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Risk_Statements(EU): | R20/21/22 |
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