AKOS BRN-0002
1,4-Benzenediboronic acid
CAS: 4612-26-4
Molecular Formula: C6H8B2O4
AKOS BRN-0002 - Names and Identifiers
| Name | 1,4-Benzenediboronic acid |
| Synonyms | AKOS BRN-0002 1,4-Phenyldiboronic acid P-PHENYLENEDIBORONIC ACID 1,4-Benzenediboronic acid 1,4-BENZENEDIBORONIC ACID Benzene-1,4-diboronic acid BENZENE-1,4-DIBORONIC ACID 1,4-PHENYLENEDIBORONIC ACID 1,4-Phenylenediboronic acid 1,4-Phenylenebisboronic acid benzene-1,4-diyldiboronic acid 1,4-PHENYLENEBIS(BORONIC ACID) 4-(Dihydroxyboryl)phenylboronic acid 4-(DIHYDROXYBORYL)PHENYLBORONIC ACID |
| CAS | 4612-26-4 |
| EINECS | 628-888-0 |
| InChI | InChI=1/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H |
| InChIKey | BODYVHJTUHHINQ-UHFFFAOYSA-N |
AKOS BRN-0002 - Physico-chemical Properties
| Molecular Formula | C6H8B2O4 |
| Molar Mass | 165.75 |
| Density | 1.33±0.1 g/cm3(Predicted) |
| Melting Point | >350°C(lit.) |
| Boling Point | 420.1±55.0 °C(Predicted) |
| Flash Point | 207.9°C |
| Water Solubility | Soluble in water 2.5%. |
| Solubility | soluble in Methanol |
| Vapor Presure | 8.27E-08mmHg at 25°C |
| Appearance | Solid |
| Color | white to off-white |
| BRN | 2836921 |
| pKa | 8.30±0.17(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.555 |
| MDL | MFCD00236018 |
| Use | Reagent used for . Externally initiated Kumada catalyst-transfer polycondensation . Suzuki-Miyaura cross-coupling reactions . Energy transfer processes in optoelectronic devices . Palladium-catalyzed sequential alkenylation and conjugate addition rea |
AKOS BRN-0002 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | No |
| HS Code | 29310095 |
| Hazard Note | Corrosive |
| Hazard Class | IRRITANT |
AKOS BRN-0002 - Reference Information
| use | p-phenyldiboronic acid can be used as an intermediate in pharmaceutical synthesis. |
| preparation | compound m(8.87g,37.6mmol) is dissolved in tetrahydrofuran (140mL), hexane solvent and 2.5M n-butyl lithium (18mL,45.1mmol) are added dropwise at -78 ℃, and then stirred for 1 hour. After slowly adding trimethyl borate (13mL,56.4mmol), stir for 2 hours. Then add 2M hydrochloric acid to neutralize, and extract the product with ethyl acetate and water. Recrystallization with dichloromethane and hexane to obtain the compound p-phenyldiboronic acid n(2.93g,47%). |
Last Update：2024-04-10 22:29:15
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