HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Thienylessigsaeure
THIOPHENE-3-ACETIC ACID · Thiophen-3-ylacetic acid · Mefluleucine · 3-Thiopheneacetic · TIMTEC-BB SBB004147 · RARECHEM AL BO 0216 · Ticarcillin EP Imp B · 3-THIENYLACETIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 6964-21-2 |
|---|---|
| Summenformel | C6H6O2S |
| Durchschnittliche Molmasse | 142,18 g/mol |
| Monoisotopische Masse | 142,00885043 g/mol |
| SMILES | O=C(O)Cc1ccsc1 |
| InChIKey | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| PubChem CID | 23404 |
| EC No. | 230-166-1 |
| DTXSID | DTXSID10219904 |
| Lokaler Name | 3-Thienylessigsaeure |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 114 |
| Stoffklassen | Other Classes -> Organic Acids |
| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 73-76 °C(lit.) |
| Siedepunkt | 129°C 2,5mm |
| Dichte | 1.365 (estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | 129°C/2.5mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 4.25±0.10(Predicted) |
| Aggregatzustand | Crystalline Flakes or Powder |
| Farbe | Off-white to beige |
| Löslichkeit | Very soluble in water. |
| BRN | 113622 |
| InChI | InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8) |
| InChIKey | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| SMILES | C1SC=CC=1CC(O)=O |
| CAS Datenbank | 6964-21-2(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Thiopheneacetic acid(6964-21-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (17.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Intravenous LD50 (mouse) = 985 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (17.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1759 |
| Zollcode | 29349990 |
| RTECS-Nr. | XM7570000 |
| R-Sätze (R) | 36/37/38-34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-24/25-45-36/37/39-27 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Thiopheneacetic acid was used in one-step, size control synthesis of gold nanoparticles. It was also used in the preparation of gold nanoparticles capped with 3-thiopheneacetic acid (3-TAA) via borohydride reduction.