HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 252137Erstellt: 27. Oktober 2026
5-Bromo-1H-indole-2-carboxylic acid
5-BROMO-1H-INDOLE-2-CARBOXYLIC ACID · NSC 73384 · AKOS JY2082545 · Orforglipron impurity 35 · 5-Bromo-2-carboxy-1H-indole · 5-BROMOINDOLE-2-CARBOXYLIC ACID · 5-BROMO-2-INDOLECARBOXYLIC ACID · 5-Bromoindole-2-carboxylicAcid>5-Bromoindazole-2-carboxylic acid
https://huagongshe.com/de/chemical/252137
Identifikatoren & physikalische Daten
| CAS No. | 7254-19-5 |
|---|
| Summenformel | C9H6BrNO2 |
|---|
| Durchschnittliche Molmasse | 240,05 g/mol |
|---|
| Monoisotopische Masse | 238,95819053 g/mol |
|---|
| SMILES | O=C(O)c1cc2cc(Br)ccc2[nH]1 |
|---|
| InChIKey | YAULOOYNCJDPPU-UHFFFAOYSA-N |
|---|
| PubChem CID | 252137 |
|---|
| ChEMBL | CHEMBL22435 |
|---|
| EC No. | 805-759-9 |
|---|
| DTXSID | DTXSID60291139 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|
| Polarare Oberfläche (TPSA) | 53,1 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 222 |
|---|
| Schmelzpunkt | 287-288 |
|---|
| Siedepunkt | 470.9±25.0 °C(Predicted) |
|---|
| Dichte | 1.838±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | -20°C |
|---|
| pKa (Säurekonstante) | 4.25±0.30(Predicted) |
|---|
| Aggregatzustand | Solid |
|---|
| Farbe | White to Light yellow to Light orange |
|---|
| InChI | InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
|---|
| InChIKey | YAULOOYNCJDPPU-UHFFFAOYSA-N |
|---|
| SMILES | N1C2=C(C=C(Br)C=C2)C=C1C(O)=O |
|---|
| CAS Datenbank | 7254-19-5(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29339980 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
|---|
| Gefahrenklasse | IRRITANT |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
