1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile
Catalog No: FT-0605678
CAS No: 28049-61-8
- Molecular Formula: 191.65
- Formula Weight: C11H10ClN
- Inchl Key: XQONXPWVIZZJIL-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2
| 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: | 156.1±9.0 °C at 760 mmHg |
|---|---|
| CAS: | 28049-61-8 |
| MF: | C5H7N |
| Melting_Point: | N/A |
| Symbol: | Warning |
| Density: | 0.9±0.1 g/cm3 |
| FW: | 81.116 |
| Product_Name: | 1-(4-chlorophenyl)cyclobutanecarbonitrile |
| Flash_Point: | 44.3±6.5 °C |
| Bolling_Point: | 156.1±9.0 °C at 760 mmHg |
|---|---|
| LogP: | 0.48 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）1137 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）295 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）1548 ', '8 . Flash point（ºF）>230 ', '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'] |
| Computational_Chemistry: | ['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :228 ', '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'] |
| Vapor_Pressure: | 2.9±0.3 mmHg at 25°C |
| Exact_Mass: | 81.057846 |
| MF: | C5H7N |
| Density: | 0.9±0.1 g/cm3 |
| Refractive_Index: | 1.446 |
| PSA: | 23.79000 |
| Flash_Point: | 44.3±6.5 °C |
| Molecular_Structure: | ['1 . Molar refractive index 5263 ', '2 . Molar volume （m3/mol）1588 ', '3 . Parachor （902K）4172 ', '4 . Surface tension 476 ', '5 . Polarizability （10 -24cm 3）2086'] |
| FW: | 81.116 |
| Safety_Statements: | H302 + H312 + H332 |
|---|---|
| RIDADR: | UN3276 |
| WGK_Germany: | 3 |
| Hazard_Codes: | Xn:Harmful; |
| HS_Code: | 2926909090 |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| Symbol: | Warning |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard_Class: | 6.1 |
| Packing_Group: | III |
| Warning_Statement: | P280 |
