HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 3-bromothiophene-2-carboxylate
JACS-26137-08-6 · RARECHEM AL BF 0362 · METHYL 3-BROMOTHIOPH · 3-broMo-2-thiophenecarboxylate · Methyl 3-bromothiophene-2-carboxylate · Methyl 3-Bromothiophene-2-carboxylate >Methyl 3-bromothiophene-2-carboxylate ,97% · Methyl 3-Bromothiophene-2-carboxylate, >=98% · 3-BroMo-thiophene-2-carboxylicacidMethylester
Identifikatoren & physikalische Daten
| CAS No. | 26137-08-6 |
|---|---|
| Summenformel | C6H5BrO2S |
| Durchschnittliche Molmasse | 221,07 g/mol |
| Monoisotopische Masse | 219,9193625 g/mol |
| SMILES | COC(=O)c1sccc1Br |
| InChIKey | PEGSJNCGPSIJOX-UHFFFAOYSA-N |
| PubChem CID | 2740074 |
| EC No. | 862-002-5 |
| DTXSID | DTXSID60372351 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 140 |
| Schmelzpunkt | 50 °C |
| Siedepunkt | 112/4mm |
| Dichte | 1.662±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| Aggregatzustand | Solid |
| Farbe | White |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3 |
| InChIKey | PEGSJNCGPSIJOX-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)SC=CC=1Br |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
Anwendungen & Verwendung
Verwenden
Methyl 3-bromothiophene-2-carboxylate is employed as a intermediate for pharmaceutical and chemical research.