1H-BENZOTRIAZOLE-1-ACETONITRILE
Catalog No: FT-0642723
CAS No: 111198-08-4
- Chemical Name: 1H-BENZOTRIAZOLE-1-ACETONITRILE
- Molecular Formula: C8H6N4
- Molecular Weight: 158.16
- InChI Key: DIFOLZGBHRDEFT-UHFFFAOYSA-N
- InChI: InChI=1S/C8H6N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,6H2
| 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: | 1H-Benzotriazole-1-Acetonitrile |
|---|---|
| Flash_Point: | 177.6ºC |
| Melting_Point: | 84-89ºC(lit.) |
| FW: | 158.16000 |
| Density: | 1.3g/cm3 |
| CAS: | 111198-08-4 |
| Bolling_Point: | 370.1ºC at 760 mmHg |
| MF: | C8H6N4 |
| Molecular_Structure: | ['1. Molar refractive index 4629 ', '2. Molar volume 1212 ', '3. Parachor （902K）3344 ', '4. Surface tension 578 ', '5. Dielectric constant N/A ', '6. Polarizability 1835 ', '7. Single isotope mass 158059246 Da ', '8. Nominal mass 158 Da ', '9. Average mass 15816 Da'] |
|---|---|
| Flash_Point: | 177.6ºC |
| Refractive_Index: | 1.689 |
| FW: | 158.16000 |
| Density: | 1.3g/cm3 |
| Bolling_Point: | 370.1ºC at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 545 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :206 ', '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'] |
| LogP: | 0.95488 |
| Melting_Point: | 84-89ºC(lit.) |
| PSA: | 54.50000 |
| MF: | C8H6N4 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）84-89 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，08mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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'] |
| Vapor_Pressure: | 1.13E-05mmHg at 25°C |
| Exact_Mass: | 158.05900 |
| Hazard_Codes: | Xn: Harmful; |
|---|---|
| Risk_Statements(EU): | R20/21/22 |
| HS_Code: | 2933990090 |
| Safety_Statements: | 26-36 |
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