HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromo-2-iodobenzoic acid
NSC 190696 · RARECHEM AL BO 0892 · 5-BROMO-2-IODOBENZOIC ACID · 5-Bromo-2-iodobenzoicAcid>Benzoic acid, 5-broMo-2-iodo- · 5-Bromo-2-iodobenzoic acid 97+%
Identifikatoren & physikalische Daten
| CAS No. | 21740-00-1 |
|---|---|
| Summenformel | C7H4BrIO2 |
| Durchschnittliche Molmasse | 326,91 g/mol |
| Monoisotopische Masse | 325,84394 g/mol |
| SMILES | O=C(O)c1cc(Br)ccc1I |
| InChIKey | IGBNDUKRHPTOBP-UHFFFAOYSA-N |
| PubChem CID | 302939 |
| EC No. | 675-666-4 |
| DTXSID | DTXSID50307314 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 163 |
| Schmelzpunkt | 161-163°C |
| Siedepunkt | 133-134 °C(Press: 1 Torr) |
| Dichte | 2.331±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in MethanolSlightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.47±0.10(Predicted) |
| Farbe | White to Light yellow |
| InChI | InChI=1S/C7H4BrIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| InChIKey | IGBNDUKRHPTOBP-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(Br)=CC=C1I |
| CAS Datenbank | 21740-00-1(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 5 reports by companies from 4 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 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.