(2,6-dibromo-4-cyanophenyl) octanoate
Catalog No: FT-0727535
CAS No: 1689-99-2
- Chemical Name: (2,6-dibromo-4-cyanophenyl) octanoate
- Molecular Formula: C15H17Br2NO2
- Molecular Weight: 403.11
- InChI Key: DQKWXTIYGWPGOO-UHFFFAOYSA-N
- InChI: InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
| 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 |
| Symbol: | GHS06, GHS08, GHS09 |
|---|---|
| CAS: | 1689-99-2 |
| Flash_Point: | 210.6±28.7 °C |
| Product_Name: | 2,6-Dibromo-4-cyanophenyl octanoate |
| Bolling_Point: | 424.6±45.0 °C at 760 mmHg |
| FW: | 403.109 |
| Melting_Point: | 45-46°C |
| MF: | C15H17Br2NO2 |
| Density: | 1.5±0.1 g/cm3 |
| Refractive_Index: | 1.573 |
|---|---|
| Vapor_Pressure: | 0.0±1.0 mmHg at 25°C |
| Flash_Point: | 210.6±28.7 °C |
| LogP: | 5.19 |
| Bolling_Point: | 424.6±45.0 °C at 760 mmHg |
| FW: | 403.109 |
| 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）45-46 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa） Unknow ', '7 . Refractive index Unknow ', '8 . Flash point（ºC） Unknow ', '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 :58 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 501 ', '7. Heavy Atom Count :20 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :341 ', '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'] |
| Melting_Point: | 45-46°C |
| MF: | C15H17Br2NO2 |
| Exact_Mass: | 400.962585 |
| Molecular_Structure: | ['1 . Molar refractive index 8566 ', '2 . Molar volume （m3/mol）2601 ', '3 . Parachor （902K）6994 ', '4 . Surface tension 522 ', '5 . Dielectric constant （F/m）无可用 ', '6 . Polarizability （10 -24cm 3）3395'] |
| Density: | 1.5±0.1 g/cm3 |
| PSA: | 50.09000 |
| Symbol: | GHS06, GHS08, GHS09 |
|---|---|
| RIDADR: | 2588 |
| HS_Code: | 2926909032 |
| Packing_Group: | III |
| Hazard_Class: | 6.1(b) |
| Risk_Statements(EU): | R22;R23;R43;R50/53;R63 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| RTECS: | DI3325000 |
| Hazard_Codes: | T:Toxic;N:Dangerousfortheenvironment; |
| Warning_Statement: | P201-P261-P273-P280-P304 + P340 + P312-P403 + P233 |
| Safety_Statements: | H302 + H312-H317-H331-H361d-H410 |
