

2,3,6-Trifluorobenzonitrile
Catalog No: FT-0609482
CAS No: 136514-17-5
- Molecular Formula: 157.09
- Formula Weight: C7H2F3N
- Inchl Key: YWTXHALVWAISPR-UHFFFAOYSA-N
- Inchl: InChI=1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Melting_Point: | N/A |
---|---|
CAS: | 136514-17-5 |
MF: | C7H2F3N |
Flash_Point: | 78.9±0.0 °C |
Product_Name: | 2,3,6-Trifluorobenzonitrile |
Density: | 1.4±0.1 g/cm3 |
FW: | 157.093 |
Bolling_Point: | 173.1±35.0 °C at 760 mmHg |
Refractive_Index: | 1.464 |
---|---|
Vapor_Pressure: | 1.3±0.3 mmHg at 25°C |
Flash_Point: | 78.9±0.0 °C |
LogP: | 1.18 |
Bolling_Point: | 173.1±35.0 °C at 760 mmHg |
PSA: | 23.79000 |
Molecular_Structure: | ['1. Molar refractive index 3165 ', '2. Molar volume 1146 ', '3. Parachor (902K)275 ', '4. Surface tension 331 ', '5. Dielectric constant N/A ', '6. Polarizability 1255 ', '7. Single isotope mass 157013934 Da ', '8. Nominal mass 157 Da ', '9. Average mass 1570927 Da'] |
Computational_Chemistry: | ['1. XlogP :19 ', '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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :185 ', '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: | C7H2F3N |
Exact_Mass: | 157.013931 |
FW: | 157.093 |
Density: | 1.4±0.1 g/cm3 |
More_Info: | ['1 . Appearance Colourless 的Liquid ', '2 . Density(g/mL,20℃)1359 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)Unknow ', '5 . Boiling point(ºC,Atmospheric pressure)179 ', '6 . Boiling point(ºC,KPa)Unknow ', '7 . Refractive indexn20/D 14706 ', '8 . Flash point(ºC)789 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(Pa,20ºC)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 Unknow'] |
Hazard_Class: | 6.1 |
---|---|
Risk_Statements(EU): | R20/21/22;R36/38 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
RIDADR: | 3276 |
Hazard_Codes: | Xi: Irritant; |
HS_Code: | 2926909090 |
Safety_Statements: | S26-S36/37-S38 |
Packing_Group: | III |
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