HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromothiophene-2-carboxylic acid
5-BROMOTHIOPHENE-2-CARBOXYLIC ACID · 2-Thiophenecarboxylic acid, 5-bromo- · EA387 · NSC 408675 · AKOS 92445 · BUTTPARK 97\04-65 · RARECHEM AL BO 1503 · OTAVA-BB BB7110952611
Identifikatoren & physikalische Daten
| CAS No. | 7311-63-9 |
|---|---|
| Summenformel | C5H3BrO2S |
| Durchschnittliche Molmasse | 207,05 g/mol |
| Monoisotopische Masse | 205,90371244 g/mol |
| SMILES | O=C(O)c1ccc(Br)s1 |
| InChIKey | COWZPSUDTMGBAT-UHFFFAOYSA-N |
| PubChem CID | 349115 |
| ChEMBL | CHEMBL4291755 |
| EC No. | 615-911-4 |
| DTXSID | DTXSID90325113 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 128 |
| Schmelzpunkt | 140 °C |
| Siedepunkt | 318.9±27.0 °C(Predicted) |
| Dichte | 1.923±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 3.32±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to cream |
| BRN | 118364 |
| InChI | InChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8) |
| InChIKey | COWZPSUDTMGBAT-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)SC(Br)=CC=1 |
| CAS Datenbank | 7311-63-9(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 47 reports by companies from 7 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 | 29339900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-22-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-thiophenecarboxylic acid may be used in the preparation of:5-bromo-2-thiophenecarboxylic acid butyl estersulphonyl-tetrafluorophenyl (STP) estersnew porphyrin sensitizers based on donor-Π-acceptor (D-Π-A) approach