HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(Dihydroxyboranyl)benzoic acid
2-BORONOBENZOIC ACID · BM403 · 2-CarboxyphenyL · RARECHEM AH PB 0146 · 2-Carboxyphenylboron · Benzoic acid, 2-borono- · Florfenicol Impurity 35 · 2-CarboxyphenylboronicAci
Identifikatoren & physikalische Daten
| CAS No. | 149105-19-1 |
|---|---|
| Summenformel | C7H7BO4 |
| Durchschnittliche Molmasse | 165,94 g/mol |
| Monoisotopische Masse | 166,0437391 g/mol |
| SMILES | O=C(O)c1ccccc1B(O)O |
| InChIKey | KWNPRVWFJOSGMZ-UHFFFAOYSA-N |
| PubChem CID | 2733985 |
| EC No. | 640-144-7 |
| DTXSID | DTXSID50370068 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 77,8 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 171 |
| Schmelzpunkt | 138-141°C |
| Siedepunkt | 412.3±47.0 °C(Predicted) |
| Dichte | 1.40±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.27±0.36(Predicted) |
| Farbe | White to Almost white |
| BRN | 2835407 |
| InChI | 1S/C7H7BO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10) |
| InChIKey | KWNPRVWFJOSGMZ-UHFFFAOYSA-N |
| SMILES | OB(O)c1ccccc1C(O)=O |
| CAS Datenbank | 149105-19-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (15.2%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38-20/21/22-36/37 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Carboxyphenylboronic acid is used in the studies on a new class of carbohydrate-binding boronic acids called the boronophthalide; a sugar-binding boronic acids that is soluble and capable of complexing glycosides in neutral water.