4-Amino-2-(trifluoromethyl)benzonitrile
Catalog No: FT-0619978
CAS No: 654-70-6
- Chemical Name: 4-Amino-2-(trifluoromethyl)benzonitrile
- Molecular Formula: C8H5F3N2
- Molecular Weight: 186.13
- InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N
- InChI: InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
| 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: | GHS07 |
|---|---|
| CAS: | 654-70-6 |
| Flash_Point: | 131.9±27.3 °C |
| Product_Name: | 4-Amino-2-(trifluoromethyl)benzonitrile |
| Bolling_Point: | 294.5±40.0 °C at 760 mmHg |
| FW: | 186.134 |
| Melting_Point: | 141-145 °C(lit.) |
| MF: | C8H5F3N2 |
| Density: | 1.4±0.1 g/cm3 |
| Refractive_Index: | 1.500 |
|---|---|
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Flash_Point: | 131.9±27.3 °C |
| LogP: | 2.93 |
| Bolling_Point: | 294.5±40.0 °C at 760 mmHg |
| PSA: | 49.81000 |
| Molecular_Structure: | ['1 . Molar refractive index 3992 ', '2 . Molar volume （m3/mol）1357 ', '3 . Parachor （902K）3429 ', '4 . Surface tension 407 ', '5 . Polarizability 1582'] |
| Computational_Chemistry: | ['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 498 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :227 ', '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: | 141-145 °C(lit.) |
| MF: | C8H5F3N2 |
| Exact_Mass: | 186.040482 |
| FW: | 186.134 |
| Density: | 1.4±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 晶体粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）136-139 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '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 不能Soluble in Water 。'] |
| Symbol: | GHS07 |
|---|---|
| RIDADR: | 3439 |
| HS_Code: | 2926909090 |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R22;R36/37/38 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard_Codes: | Xn:Harmful |
| Warning_Statement: | P280 |
| Safety_Statements: | H302-H317 |
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