HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3691174Erstellt: 4. November 2026
7-methoxy-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid
Naphtho[1,2-b]thiophene-2-carboxylic acid, 4,5-dihydro-7-methoxy-
https://huagongshe.com/de/chemical/3691174
Identifikatoren & physikalische Daten
| CAS No. | 78554-65-1 |
|---|
| Summenformel | C14H12O3S |
|---|
| Durchschnittliche Molmasse | 260,31 g/mol |
|---|
| Monoisotopische Masse | 260,05071541 g/mol |
|---|
| SMILES | COc1ccc2c(c1)CCc1cc(C(=O)O)sc1-2 |
|---|
| InChIKey | QMMBYYCLUIZAIF-UHFFFAOYSA-N |
|---|
| PubChem CID | 3691174 |
|---|
| ChEMBL | CHEMBL1567079 |
|---|
| EC No. | 985-371-5 |
|---|
| DTXSID | DTXSID40395104 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|
| Polarare Oberfläche (TPSA) | 74,8 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 18 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 333 |
|---|
| Schmelzpunkt | 124 °C |
|---|
| Siedepunkt | 488.8±45.0 °C(Predicted) |
|---|
| Dichte | 1.355±0.06 g/cm3(Predicted) |
|---|
| pKa (Säurekonstante) | 3.85±0.20(Predicted) |
|---|
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, 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%) |
|---|
| Gefahrenklasse | IRRITANT |
|---|
![Molekülstruktur von 7-methoxy-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid](/img/chemical/3691174.png)