3-Bromo-2-methylbenzoic acid
Catalog No: FT-0602332
CAS No: 76006-33-2
- Molecular Formula: 215.04
- Formula Weight: C8H7BrO2
- Inchl Key: BJGKVCKGUBYULR-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
| 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-Bromo-2-methylbenzoic acid |
|---|---|
| Flash_Point: | 145.0±24.6 °C |
| Melting_Point: | 152-156 °C(lit.) |
| FW: | 215.044 |
| Density: | 1.6±0.1 g/cm3 |
| CAS: | 76006-33-2 |
| Bolling_Point: | 316.1±30.0 °C at 760 mmHg |
| MF: | C8H7BrO2 |
| Molecular_Structure: | ['1 . Molar refractive index 4569 ', '2 . Molar volume （m3/mol）1344 ', '3 . Parachor （902K）3575 ', '4 . Surface tension 500 ', '5 . Polarizability （10 -24cm 3）1811'] |
|---|---|
| Flash_Point: | 145.0±24.6 °C |
| Refractive_Index: | 1.595 |
| FW: | 215.044 |
| Density: | 1.6±0.1 g/cm3 |
| Bolling_Point: | 316.1±30.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :25 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :158 ', '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: | 3.17 |
| Melting_Point: | 152-156 °C(lit.) |
| PSA: | 37.30000 |
| MF: | C8H7BrO2 |
| More_Info: | ['1 . Appearance Solid 。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）152-156 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）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（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 Unknow。'] |
| Vapor_Pressure: | 0.0±0.7 mmHg at 25°C |
| Exact_Mass: | 213.962936 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard_Codes: | Xi: Irritant; |
| Risk_Statements(EU): | R36/37/38 |
| RIDADR: | NONH for all modes of transport |
| HS_Code: | 2916399090 |
| WGK_Germany: | 3 |
| Safety_Statements: | S26-S36/37/39 |
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