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m-Carborane-1,7-dicarboxylic acid
1,7-dicarba-closo-dodecarborane · m-Carborane-1,7-dicarboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 50571-15-8 |
|---|---|
| Summenformel | C4H2B10O4 |
| Durchschnittliche Molmasse | 222,2 g/mol |
| Monoisotopische Masse | 224,08836 g/mol |
| SMILES | O=C(O)C12[B][B][B][B][B][B][B][B]C(C(=O)O)([B]1)[B]2 |
| InChIKey | BREAAVUQZUTQDB-UHFFFAOYSA-N |
| PubChem CID | 45050575 |
| EC No. | 635-457-0 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 74,6 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 318 |
| Aggregatzustand | solid |
| InChI | 1S/C4H12B10O4/c15-1(16)3-5-4(6-3,2(17)18)8-10-12-14-13-11-9-7-3/h5-14H,(H,15,16)(H,17,18) |
| InChIKey | BREAAVUQZUTQDB-UHFFFAOYSA-N |
| SMILES | OC(=O)C12BBBBBBBBC(B1)(B2)C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
m-Carborane-1,7-dicarboxylic acid is used in the preparation of divalent-metal carboranedicarboxylates for boron-neutron capture therapy.