4-(CYANOMETHYL)BENZENEBORONIC ACID
Catalog No: FT-0642214
CAS No: 91983-26-5
- Chemical Name: 4-(CYANOMETHYL)BENZENEBORONIC ACID
- Molecular Formula: C8H8BNO2
- Molecular Weight: 160.97
- InChI Key: YKVMTTIYBSVPEQ-UHFFFAOYSA-N
- InChI: InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
| 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 |
| Melting_Point: | 138-142°C |
|---|---|
| CAS: | 91983-26-5 |
| MF: | C8H8BNO2 |
| Flash_Point: | 181.0±28.4 °C |
| Product_Name: | [4-(Cyanomethyl)phenyl]boronic acid |
| Density: | 1.2±0.1 g/cm3 |
| FW: | 160.966 |
| Bolling_Point: | 375.7±44.0 °C at 760 mmHg |
| Refractive_Index: | 1.549 |
|---|---|
| Vapor_Pressure: | 0.0±0.9 mmHg at 25°C |
| Flash_Point: | 181.0±28.4 °C |
| LogP: | 0.82 |
| Bolling_Point: | 375.7±44.0 °C at 760 mmHg |
| PSA: | 64.25000 |
| Molecular_Structure: | ['分子性质数据 ', '1 . Molar refractive index 4248 ', '2 . Molar volume (m3/mol)1335 3 . Parachor (902K) 3594 ', '4 表面张力(30 dyne/cm)524 ', '5 . Polarizability (05 10 -24cm 3)1684'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 642 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :179 ', '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'] |
| Melting_Point: | 138-142°C |
| MF: | C8H8BNO2 |
| Exact_Mass: | 161.064804 |
| FW: | 160.966 |
| Density: | 1.2±0.1 g/cm3 |
| More_Info: | ['1 . Appearance 灰Yellow to 浅棕色晶体粉末 ', '2 . Density(g/mL25 ºC)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)196-200 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,01mmHg)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC,01mmHg)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,)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(正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 不能溶解于Water '] |
| Hazard_Class: | 6.1 |
|---|---|
| Risk_Statements(EU): | R20/22;R36/37/38 |
| RIDADR: | 3439 |
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2931900090 |
| Safety_Statements: | S26-S36/37/39 |
| Packing_Group: | III |
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