

3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZOIC ACID
Catalog No: FT-0615330
CAS No: 129931-45-9
- Molecular Formula: 242.55
- Formula Weight: C8H3ClF4O2
- Inchl Key: UINXNXRHKMRASA-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H3ClF4O2/c9-5-2-3(8(11,12)13)1-4(6(5)10)7(14)15/h1-2H,(H,14,15)
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Product_Name: | 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid |
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Flash_Point: | 108.0±27.3 °C |
Melting_Point: | 89-91°C |
FW: | 242.555 |
Density: | 1.6±0.1 g/cm3 |
CAS: | 129931-45-9 |
Bolling_Point: | 254.9±40.0 °C at 760 mmHg |
MF: | C8H3ClF4O2 |
Molecular_Structure: | ['1. Molar refractive index 4305 ', '2. Molar volume 1516 ', '3. Parachor (902K)3696 ', '4. Surface tension 352 ', '5. Dielectric constant N/A ', '6. Polarizability 1706 ', '7. Single isotope mass 24197577 Da ', '8. Nominal mass 242 Da ', '9. Average mass 2425548 Da'] |
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Flash_Point: | 108.0±27.3 °C |
Refractive_Index: | 1.480 |
FW: | 242.555 |
Density: | 1.6±0.1 g/cm3 |
Bolling_Point: | 254.9±40.0 °C at 760 mmHg |
Computational_Chemistry: | ['1. XlogP :31 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :256 ', '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: | 4.34 |
Melting_Point: | 89-91°C |
PSA: | 37.30000 |
MF: | C8H3ClF4O2 |
More_Info: | ['1 . Appearance 晶体状粉末 ', '2 . Density(g/mL,20℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)89-91 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,KPa)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(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'] |
Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
Exact_Mass: | 241.975769 |
Hazard_Codes: | Xi |
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Risk_Statements(EU): | R36/37/38 |
HS_Code: | 2916399090 |
Safety_Statements: | S26-S36 |
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