HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Brombernsteinsure
2-BROMOSUCCINIC ACID · NSC 227872 · Bromosuccinic acid · Bromobutanedioicaicd · BROMOBUTANEDIOIC ACID · DL-BROMOSUCCINIC ACID · Monobromosuccinicacid · Bromosuccinicacid,96%
Identifikatoren & physikalische Daten
| CAS No. | 923-06-8 |
|---|---|
| Summenformel | C4H5BrO4 |
| Durchschnittliche Molmasse | 196,98 g/mol |
| Monoisotopische Masse | 195,93712074 g/mol |
| SMILES | O=C(O)CC(Br)C(=O)O |
| InChIKey | QQWGVQWAEANRTK-UHFFFAOYSA-N |
| PubChem CID | 73557 |
| ChEBI | CHEBI:73712 |
| EC No. | 213-087-7 |
| DTXSID | DTXSID70870797 |
| Lokaler Name | Brombernsteinsure |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 133 |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109] |
| Schmelzpunkt | 161-163 °C(lit.) |
| Siedepunkt | 255℃ |
| Dichte | 2.073 |
| Brechungsindex | 1.4620 (estimate) |
| Flammpunkt | 108℃ |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Insoluble in ether.120g/L(15.5 ºC) |
| pKa (Säurekonstante) | pK1: 2.55pK2: 4.41 (25°C) |
| Aggregatzustand | Solid |
| Farbe | White |
| Merck | 14,1437 |
| BRN | 1723556 |
| InChI | InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9) |
| InChIKey | QQWGVQWAEANRTK-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(Br)CC(O)=O |
| CAS Datenbank | 923-06-8(CAS DataBase Reference) |
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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1759 |
| Zollcode | 29171990 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Bromosuccinic acid is an important precursor in many chemicals used in the food, chemical and pharmaceutical fields. It is also used as a reagent to prepare L-Hydrazinosuccinic acid.