2-Fluoro-4-(trifluoromethyl)benzonitrile
Catalog No: FT-0612394
CAS No: 146070-34-0
- Molecular Formula: 189.11
- Formula Weight: C8H3F4N
- Inchl Key: JLTYVTXTSOYXMX-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H3F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
| 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: | 190.5±40.0 °C at 760 mmHg |
|---|---|
| CAS: | 146070-34-0 |
| MF: | C8H3F4N |
| Melting_Point: | 103-105 °C(lit.) |
| Symbol: | Warning |
| Density: | 1.4±0.1 g/cm3 |
| FW: | 189.110 |
| Product_Name: | 2-Fluoro-4-(trifluoromethyl)benzonitrile |
| Flash_Point: | 75.6±0.0 °C |
| Bolling_Point: | 190.5±40.0 °C at 760 mmHg |
|---|---|
| Vapor_Pressure: | 0.5±0.4 mmHg at 25°C |
| LogP: | 2.32 |
| Computational_Chemistry: | ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :226 ', '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: | 103-105 °C(lit.) |
| Exact_Mass: | 189.020157 |
| MF: | C8H3F4N |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.444 |
| PSA: | 23.79000 |
| Flash_Point: | 75.6±0.0 °C |
| Molecular_Structure: | ['1. Molar refractive index 3642 ', '2. Molar volume 1371 ', '3. Parachor （902K）3223 ', '4. Surface tension 304 ', '5. Dielectric constant N/A ', '6. Polarizability 1443 ', '7. Single isotope mass 189020162 Da ', '8. Nominal mass 189 Da ', '9. Average mass 1891097 Da'] |
| FW: | 189.110 |
| Safety_Statements: | H302-H312-H315-H319-H332-H335 |
|---|---|
| RIDADR: | 3276 |
| 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: | P261-P280-P305 + P351 + P338 |
