 
                                         
                                        Isoquinoline
Catalog No: FT-0627506
CAS No: 119-65-3
- Chemical Name: Isoquinoline
- Molecular Formula: C9H7N
- Molecular Weight: 129.16
- InChI Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N
- InChI: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
| 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 | 
| FW: | 129.159 | 
|---|---|
| CAS: | 119-65-3 | 
| Melting_Point: | 26-28 °C(lit.) | 
| Bolling_Point: | 243.2±0.0 °C at 760 mmHg | 
| MF: | C9H7N | 
| Product_Name: | Isoquinoline | 
| Flash_Point: | 107.2±0.0 °C | 
| Density: | 1.1±0.1 g/cm3 | 
| FW: | 129.159 | 
|---|---|
| MF: | C9H7N | 
| Water_Solubility: | practically insoluble | 
| Refractive_Index: | 1.642 | 
| Vapor_Pressure: | 0.1±0.4 mmHg at 25°C | 
| Bolling_Point: | 243.2±0.0 °C at 760 mmHg | 
| Exact_Mass: | 129.057846 | 
| PSA: | 12.89000 | 
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 129 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :111 ', '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'] | 
| Molecular_Structure: | ['1 . Molar refractive index 4218 ', '2 . Molar volume 1167 ', '3 . Parachor (902K)3052 ', '4 . Surface tension 466 ', '5 . Polarizability 1672'] | 
| LogP: | 1.96 | 
| Melting_Point: | 26-28 °C(lit.) | 
| Flash_Point: | 107.2±0.0 °C | 
| Density: | 1.1±0.1 g/cm3 | 
| More_Info: | ['1 . Appearance Colourless 片状结晶or Liquid ,具吸Water 性,碱性较喹啉强。有类似茴香油and 苯甲醚气味。 ', '2 . Density(g/mL,30/4℃)109101 ', '3 . Melting point(ºC)2648 ', '4 . Boiling point(ºC,Atmospheric pressure)24324 ', '5 . Boiling point(ºC,991KPa)2422 ', '6 . Refractive index(30ºC)162078 ', '7 黏度(mPa·s,30ºC)32528 ', '8 . Flash point(ºC,闭口)>107 ', '9 熔化热(KJ/mol)561 ', '10 . Combustion heat(KJ/mol)4702 ', '11 生成热(KJ/mol,Liquid ,31ºC)14518 ', '12 比热容(KJ/(kg·K) ,31ºC,定压)147 ', '13 . Critical temperature(ºC)530 ', '14 . Vapor pressure(kPa,635ºC)013 ', '15 体膨胀系数(K-1,30ºC)0000722 ', '16 . Solubility 能与醇醚苯四氯化碳乙酸苯酯茚氧茚等混溶。80℃时能与萘以任意比例混溶。'] | 
| RTECS: | NW6825000 | 
|---|---|
| HS_Code: | 2933499090 | 
| Safety_Statements: | S36/37-S45-S36/37/39 | 
| WGK_Germany: | 2 | 
| RIDADR: | UN 2811 6.1/PG 3 | 
| Risk_Statements(EU): | R22;R24;R38 | 
| Hazard_Codes: | T:Toxic | 
| Packing_Group: | II | 
| Hazard_Class: | 6.1 | 
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