4-Bromo-2-trifluoromethylphenyl isothiocyanate
Catalog No: FT-0676151
CAS No: 186589-12-8
- Chemical Name: 4-Bromo-2-trifluoromethylphenyl isothiocyanate
- Molecular Formula: C8H3BrF3NO
- Molecular Weight: 266.01
- InChI Key: UZFHKVBCBXPKKE-UHFFFAOYSA-N
- InChI: InChI=1S/C8H3BrF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
| 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: | Warning |
|---|---|
| FW: | 266.01500 |
| Density: | 1.64g/cm3 |
| CAS: | 186589-12-8 |
| Bolling_Point: | 235.6ºC at 760 mmHg |
| Product_Name: | 4-Bromo-2-trifluoromethylphenyl isothiocyanate |
| Melting_Point: | N/A |
| Flash_Point: | 96.3ºC |
| MF: | C8H3BrF3NO |
| Molecular_Structure: | ['1 . Molar refractive index 4846 ', '2 . Molar volume （m3/mol）1614 ', '3 . Parachor （902K）3928 ', '4 . Surface tension 349 ', '5 . Polarizability （10 -24cm 3）1921'] |
|---|---|
| LogP: | 3.43520 |
| Flash_Point: | 96.3ºC |
| Refractive_Index: | 1.512 |
| FW: | 266.01500 |
| Density: | 1.64g/cm3 |
| Bolling_Point: | 235.6ºC at 760 mmHg |
| Computational_Chemistry: | ['1 . XlogP 43 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 294 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 250 ', '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'] |
| PSA: | 29.43000 |
| MF: | C8H3BrF3NO |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）1699 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，10mmHg）115 ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）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: | 0.0497mmHg at 25°C |
| Exact_Mass: | 264.93500 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|---|
| Hazard_Codes: | Xn |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| Safety_Statements: | S26-S36 |
| Symbol: | Warning |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| RIDADR: | UN 2206 6.1/PG 3 |
| HS_Code: | 2929109000 |
