3-Bromo-4-hydroxy-5-methoxybenzonitrile
Catalog No: FT-0679449
CAS No: 52805-45-5
- Chemical Name: 3-Bromo-4-hydroxy-5-methoxybenzonitrile
- Molecular Formula: C8H6BrNO2
- Molecular Weight: 228.04
- InChI Key: FHXLXRNDUJYBEQ-UHFFFAOYSA-N
- InChI: InChI=1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3
| 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: | 228.04300 |
| Density: | 1.71g/cm3 |
| CAS: | 52805-45-5 |
| Bolling_Point: | 280.7ºC at 760 mmHg |
| Product_Name: | 3-Bromo-4-hydroxy-5-methoxybenzonitrile |
| Melting_Point: | 143-146ºC |
| Flash_Point: | 123.6ºC |
| MF: | C8H6BrNO2 |
| Flash_Point: | 123.6ºC |
|---|---|
| Refractive_Index: | 1.624 |
| FW: | 228.04300 |
| Density: | 1.71g/cm3 |
| Bolling_Point: | 280.7ºC at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 532 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :201 ', '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: | 2.03498 |
| Melting_Point: | 143-146ºC |
| PSA: | 53.25000 |
| MF: | C8H6BrNO2 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1） Unknow ', '4 . Melting point（ºC）143-146 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，1mm hg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºC）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC） Unknow ', '11 . Vapor pressure（kPa,20ºC）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'] |
| Exact_Mass: | 226.95800 |
| Hazard_Codes: | Xn |
|---|---|
| Symbol: | Warning |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| HS_Code: | 2926909090 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
| Risk_Statements(EU): | 20/21/22-36/37/38 |
| Safety_Statements: | 26-36 |
| RIDADR: | UN3439 |
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