HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 735863Erstellt: 27. Oktober 2026
2-Chloro-4-(methylsulfonyl)benzoic acid
2-Chloro-4-Met · RARECHEM AL BE 1445 · TIMTEC-BB SBB003254 · 2-Chloro-4-methylsul · Bupropion Impurity 46 · 2-chloro-4-sulfonyl acid · 2-Chloro-4-mesylbenzoic acid · 2-chloro-4-methylsulfonylbenzoate
https://huagongshe.com/de/chemical/735863
Identifikatoren & physikalische Daten
| CAS No. | 53250-83-2 |
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| Summenformel | C8H7ClO4S |
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| Durchschnittliche Molmasse | 234,66 g/mol |
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| Monoisotopische Masse | 233,97535738 g/mol |
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| SMILES | CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1 |
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| InChIKey | CTTWSFIIFMWHLQ-UHFFFAOYSA-N |
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| PubChem CID | 735863 |
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| EC No. | 406-520-8 |
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| DTXSID | DTXSID10201364 |
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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 | 14 |
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| Formalladung | 0 |
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| Komplexität | 319 |
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| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
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| Schmelzpunkt | 192-193 °C |
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| Siedepunkt | 454.8±45.0 °C(Predicted) |
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| Dichte | 1.4452 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 2.09±0.25(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | White to light yellow or light pink |
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| InChI | InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11) |
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| InChIKey | CTTWSFIIFMWHLQ-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl |
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| CAS Datenbank | 53250-83-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH318: Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
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| Regulatorische Informationen | Commission Regulation (EC) No 1490/2002Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8500 |
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| Hazard Classes and Categories | Eye Dam. 1 (100%)Acute Tox. 4 (25%)Eye damage - category 1 |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 41-36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 36/37/39-26-22-39 |
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| Lagerklasse | 13 - Non Combustible Solids |
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| Gefahrenklasse | Eye Dam. 1 |
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