3-Trifluoromethylbenzylcyanide
Catalog No: FT-0613952
CAS No: 2338-76-3
- Molecular Formula: 185.15
- Formula Weight: C9H6F3N
- Inchl Key: JOIYKSLWXLFGGR-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS02, GHS07 |
|---|---|
| CAS: | 2338-76-3 |
| Flash_Point: | 48.9±0.0 °C |
| Product_Name: | 3-(Trifluoromethyl)benzyl cyanide |
| Bolling_Point: | 238.9±0.0 °C at 760 mmHg |
| FW: | 185.146 |
| Melting_Point: | N/A |
| MF: | C9H6F3N |
| Density: | 1.2±0.1 g/cm3 |
| Refractive_Index: | 1.458 |
|---|---|
| Vapor_Pressure: | 0.0±0.4 mmHg at 25°C |
| Flash_Point: | 48.9±0.0 °C |
| LogP: | 2.02 |
| Bolling_Point: | 238.9±0.0 °C at 760 mmHg |
| PSA: | 23.79000 |
| Molecular_Structure: | ['1 . Molar refractive index 4067 ', '2 . Molar volume （m3/mol）1491 ', '3 . Parachor （902K）13493 ', '4 . Surface tension 301 ', '5 . Polarizability （10 -24cm 3）1613'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :213 ', '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'] |
| MF: | C9H6F3N |
| Exact_Mass: | 185.045227 |
| FW: | 185.146 |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 灰Yellow Liquid ', '2 . Density（g/L,20ºC）1187 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）43-47 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 4mmHg）92-93 ', '7 . Refractive index（nD20）14565 ', '8 . Flash point（ºF）120 ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）>100 ', '11 . Vapor pressure（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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 不能拌and 的or 难以拌and '] |
| Symbol: | GHS02, GHS07 |
|---|---|
| RIDADR: | UN 1993 3/PG 3 |
| HS_Code: | 2926909090 |
| Packing_Group: | III |
| Hazard_Class: | 3 |
| Risk_Statements(EU): | R10;R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| RTECS: | CY1820000 |
| Hazard_Codes: | Xn:Harmful; |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| Safety_Statements: | H226-H302 + H312 + H332-H315-H319-H335 |
