HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 77641Erstellt: 25. Oktober 2026
3-(Chlorsulfonyl)benzoesure
AKOS BB-9469 · AKOS BBS-00006994 · RARECHEM AL BO 0793 · TIMTEC-BB SBB003351 · 3-(Chlorosulfonyl)be · 3-Chlorosulfony benzoic acid · 3-(chlorosulfonyl)-benzoicaci · 3-(CHLOROSULFONYL)BENZOIC ACID
https://huagongshe.com/de/chemical/77641
Identifikatoren & physikalische Daten
| CAS No. | 4025-64-3 |
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| Summenformel | C7H5ClO4S |
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| Durchschnittliche Molmasse | 220,63 g/mol |
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| Monoisotopische Masse | 219,95970732 g/mol |
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| SMILES | O=C(O)c1cccc(S(=O)(=O)Cl)c1 |
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| InChIKey | LMRKXSDOAFUINK-UHFFFAOYSA-N |
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| PubChem CID | 77641 |
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| EC No. | 223-692-8 |
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| DTXSID | DTXSID7063269 |
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| Lokaler Name | 3-(Chlorsulfonyl)benzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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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 | 13 |
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| Formalladung | 0 |
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| Komplexität | 292 |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Schmelzpunkt | 128-130 °C(lit.) |
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| Siedepunkt | 402.5±28.0 °C(Predicted) |
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| Dichte | 1.591±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 3.00±0.10(Predicted) |
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| Farbe | White to Brown |
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| BRN | 2645465 |
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| InChI | 1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
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| InChIKey | LMRKXSDOAFUINK-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1cccc(c1)S(Cl)(=O)=O |
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| CAS Datenbank | 4025-64-3(CAS DataBase Reference) |
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| NIST chemische Informationen | M-(chlorosulfonyl)benzoic acid(4025-64-3) |
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| EPA chemische Informationen | Benzoic acid, 3-(chlorosulfonyl)- (4025-64-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3261 8/PG 2 |
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| Zollcode | 29163990 |
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| R-Sätze (R) | 34-29-22 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
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| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
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| Verpackungsgruppe | II |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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