HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7049Erstellt: 23. Oktober 2026
Natrium-2-formylbenzolsulfonatdihydrat
o-Sulfobenzaldehyde · Benzaldehyde-o-sulfonic acid · Benzenesulfonic acid, 2-formyl- · sodium benzaldehyde-o-sulfonate · 2-methanoylbenzenesulfonic acid
https://huagongshe.com/de/chemical/7049
Identifikatoren & physikalische Daten
| CAS No. | 91-25-8 |
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| Summenformel | C7H6O4S |
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| Durchschnittliche Molmasse | 186,19 g/mol |
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| Monoisotopische Masse | 185,99867984 g/mol |
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| SMILES | O=Cc1ccccc1S(=O)(=O)O |
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| InChIKey | SHHKMWMIKILKQW-UHFFFAOYSA-N |
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| PubChem CID | 7049 |
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| ChEMBL | CHEMBL3306822 |
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| EC No. | 202-053-7 |
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| DTXSID | DTXSID0046983 |
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| Lokaler Name | Natrium-2-formylbenzolsulfonatdihydrat |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 79,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 251 |
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| Collision Cross Section | 130.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5041643] |
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| Dichte | 1.503±0.06 g/cm3(Predicted) |
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| Löslichkeit | DMSO (Slightly), Water (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | -0.97±0.18(Predicted) |
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| Farbe | White to Off-White |
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| Stabilität | Hygroscopic |
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| EPA chemische Informationen | Benzenesulfonic acid, 2-formyl- (91-25-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | Not ClassifiedReported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Chemical: Benzenesulfonic acid, 2-formyl- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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