2-(Trifluoromethyl)benzonitrile
Catalog No: FT-0608960
CAS No: 447-60-9
- Molecular Formula: 171.12
- Formula Weight: C8H4F3N
- Inchl Key: SOZGHDCEWOLLHV-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
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: | GHS07 |
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CAS: | 447-60-9 |
Flash_Point: | 90.0±0.0 °C |
Product_Name: | 2-(Trifluoromethyl)benzonitrile |
Bolling_Point: | 205.0±35.0 °C at 760 mmHg |
FW: | 171.119 |
Melting_Point: | 7.5 °C(lit.) |
MF: | C8H4F3N |
Density: | 1.3±0.1 g/cm3 |
Refractive_Index: | 1.461 |
---|---|
Vapor_Pressure: | 0.3±0.4 mmHg at 25°C |
Flash_Point: | 90.0±0.0 °C |
LogP: | 2.63 |
Bolling_Point: | 205.0±35.0 °C at 760 mmHg |
PSA: | 23.79000 |
Molecular_Structure: | ['1 . Molar refractive index 3631 ', '2 . Molar volume (m3/mol)1324 ', '3 . Parachor (902K)3150 ', '4 . Surface tension 320 5 . Polarizability (10 ', '-24cm ', '3)143'] |
Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :200 ', '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: | 7.5 °C(lit.) |
MF: | C8H4F3N |
Exact_Mass: | 171.029587 |
FW: | 171.119 |
Density: | 1.3±0.1 g/cm3 |
More_Info: | ['1 . Appearance Colourless or 淡Yellow Liquid ', '2 . Density(g/mL,25/4℃)1294 ', '3 . Relative vapor density(g/mL,Atmosphere =1)59 ', '4 . Melting point(ºC)75 ', '5 . Boiling point(ºC,Atmospheric pressure)88-89 ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index14632 ', '8 . Flash point(ºF)194 ', '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 难Soluble in Water '] |
Symbol: | GHS07 |
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RIDADR: | UN 3276 6.1/PG 3 |
HS_Code: | 2926909090 |
Packing_Group: | III |
Hazard_Class: | 6.1 |
Risk_Statements(EU): | R22 |
WGK_Germany: | 2 |
Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
Hazard_Codes: | Xn: Harmful; |
Safety_Statements: | H302 |