3-CHLORO-4-FLUORO-5-NITROBENZOTRIFLUORIDE
Catalog No: FT-0615378
CAS No: 101646-02-0
- Molecular Formula: 243.54
- Formula Weight: C7H2ClF4NO2
- Inchl Key: JVOKKJHIEVEFEB-UHFFFAOYSA-N
- Inchl: InChI=1S/C7H2ClF4NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/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 |
| Symbol: | Warning |
|---|---|
| FW: | 243.54300 |
| Density: | 1.607 g/mL at 25 °C(lit.) |
| CAS: | 101646-02-0 |
| Bolling_Point: | 200 °C(lit.) |
| Product_Name: | 3-chloro-4-fluoro-5-nitrobenzotrifluoride |
| Melting_Point: | 200ºC (lit.) |
| Flash_Point: | 113 °C |
| MF: | C7H2ClF4NO2 |
| Molecular_Structure: | ['1. Molar refractive index 4266 ', '2. Molar volume 1509 ', '3. Parachor （902K）3629 ', '4. Surface tension 334 ', '5. Dielectric constant N/A ', '6. Polarizability 1691 ', '7. Single isotope mass 242971019 Da ', '8. Nominal mass 243 Da ', '9. Average mass 2435429 Da'] |
|---|---|
| Flash_Point: | 113 °C |
| Refractive_Index: | 1.482 |
| FW: | 243.54300 |
| Density: | 1.607 g/mL at 25 °C(lit.) |
| Bolling_Point: | 200 °C(lit.) |
| Computational_Chemistry: | ['1. XlogP :34 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 458 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :254 ', '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'] |
| LogP: | 3.92930 |
| Melting_Point: | 200ºC (lit.) |
| PSA: | 45.82000 |
| MF: | C7H2ClF4NO2 |
| More_Info: | ['1 . Appearance Yellow Liquid ', '2 . Density（g/mL,20℃）1607 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）200 ', '6 . Boiling point（ºC，08mmHg）Unknow ', '7 . Refractive index(n20/D)1482 ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 Insoluble in Water '] |
| Exact_Mass: | 242.97100 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| Symbol: | Warning |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Warning_Statement: | P261-P305 + P351 + P338 |
| HS_Code: | 2904909090 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Risk_Statements(EU): | R20/21/22;R36/38 |
| Safety_Statements: | S36/37/39-S45-S36-S26 |
| RIDADR: | 2306 |
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