HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromisophthalsure
5-BromoisophthaL · 1,3-Benzenedicarbo · 375-Bromo-isonaphthol · 5-Bromoisophthalic acid · 5-BromoisophthalicAcid>5-Bromoisophthalic acid,96% · 5-BROMOISOPHTHALIC ACID 96% · 5-bromobenzene-1,3-dicarboxylate · 5-bromobenzene-1,3-dicarboxylicaci
Identifikatoren & physikalische Daten
| CAS No. | 23351-91-9 |
|---|---|
| Summenformel | C8H5BrO4 |
| Durchschnittliche Molmasse | 245,03 g/mol |
| Monoisotopische Masse | 243,93712074 g/mol |
| SMILES | O=C(O)c1cc(Br)cc(C(=O)O)c1 |
| InChIKey | JATKASGNRMGFSW-UHFFFAOYSA-N |
| PubChem CID | 90073 |
| EC No. | 245-602-6 |
| DTXSID | DTXSID4066882 |
| Lokaler Name | 5-Bromisophthalsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 206 |
| Schmelzpunkt | 276-287 °C |
| Siedepunkt | 452.1±40.0 °C(Predicted) |
| Dichte | 1.875 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.14±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Löslichkeit | Insoluble in water. |
| InChI | InChI=1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | JATKASGNRMGFSW-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=CC(Br)=CC(C(O)=O)=C1 |
| CAS Datenbank | 23351-91-9(CAS DataBase Reference) |
| EPA chemische Informationen | 5-Bromoisophthalic acid (23351-91-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (87.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (87.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29173990 |
| R-Sätze (R) | 36/37/38-25 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 37/39-26-45-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
Anwendungen & Verwendung
Verwenden
Functionalizable MOF linker with an electron rich hetero atom. Reactant for: Preparation of manganese(II) bromoisophthalate bis(pyridyl)ethane coordination polymer Preparation of nickel(II) and cobalt(II) bromoisophthalate coordination polymers Preparati