trans-3,4-Difluorocinnamic acid
Catalog No: FT-0642757
CAS No: 112897-97-9
- Chemical Name: trans-3,4-Difluorocinnamic acid
- Molecular Formula: C9H6F2O2
- Molecular Weight: 184.14
- InChI Key: HXBOHZQZTWAEHJ-DUXPYHPUSA-N
- InChI: InChI=1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
| 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: | Warning |
|---|---|
| FW: | 184.139 |
| Density: | 1.4±0.1 g/cm3 |
| CAS: | 112897-97-9 |
| Bolling_Point: | 281.3±25.0 °C at 760 mmHg |
| Product_Name: | trans-3,4-Difluorocinnamic acid |
| Melting_Point: | 194-196 °C(lit.) |
| Flash_Point: | 124.0±23.2 °C |
| MF: | C9H6F2O2 |
| Molecular_Structure: | ['1. Molar refractive index 4369 ', '2. Molar volume 1334 ', '3. Parachor （902K）3462 ', '4. Surface tension 453 ', '5. Dielectric constant N/A ', '6. Polarizability 1732 ', '7. Single isotope mass 184033586 Da ', '8. Nominal mass 184 Da ', '9. Average mass 1841395 Da'] |
|---|---|
| Flash_Point: | 124.0±23.2 °C |
| Refractive_Index: | 1.569 |
| FW: | 184.139 |
| Density: | 1.4±0.1 g/cm3 |
| Bolling_Point: | 281.3±25.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :216 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| LogP: | 2.45 |
| Melting_Point: | 194-196 °C(lit.) |
| PSA: | 37.30000 |
| MF: | C9H6F2O2 |
| More_Info: | ['1 . Appearance White 粉末 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）194-196 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，8mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '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 Unknow'] |
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Exact_Mass: | 184.033585 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard_Codes: | Xi:Irritant; |
| Risk_Statements(EU): | R36/37/38 |
| Safety_Statements: | S26-S36-S37/39 |
| Symbol: | Warning |
| Warning_Statement: | P261-P305 + P351 + P338 |
| RIDADR: | NONH for all modes of transport |
| HS_Code: | 2916399090 |
| WGK_Germany: | 3 |
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