HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2801360Erstellt: 27. Oktober 2026
3-Cyanobenzene-1-sulfonyl chloride
3-CYANOBENZENESULFONYL CHLORIDE · AKOS BB-9463 · BUTTPARK 33\11-95 · 3-Cyanobenzene-1- · 3-Cyanobenzene-1-sul · 3-Cyanobenzenesulfonylchlorid · 3-(Chlorosulfonyl)benzonitrile · 3-cyanophenylsulfonyl chloride
https://huagongshe.com/de/chemical/2801360
Identifikatoren & physikalische Daten
| CAS No. | 56542-67-7 |
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| Summenformel | C7H4ClNO2S |
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| Durchschnittliche Molmasse | 201,63 g/mol |
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| Monoisotopische Masse | 200,96512705 g/mol |
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| SMILES | N#Cc1cccc(S(=O)(=O)Cl)c1 |
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| InChIKey | BHNRGBRMCNHNQD-UHFFFAOYSA-N |
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| PubChem CID | 2801360 |
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| EC No. | 628-035-2 |
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| DTXSID | DTXSID00384236 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 66,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 297 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 49-53 °C (lit.) |
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| Siedepunkt | 148 °C |
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| Dichte | 1.53±0.1 g/cm3(Predicted) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Light yellow to Dark green |
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| BRN | 2832925 |
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| InChI | 1S/C7H4ClNO2S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4H |
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| InChIKey | BHNRGBRMCNHNQD-UHFFFAOYSA-N |
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| SMILES | ClS(=O)(=O)c1cccc(c1)C#N |
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| CAS Datenbank | 56542-67-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (14.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3261 8/PG 3 |
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| Zollcode | 29269090 |
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| R-Sätze (R) | 34-43-20/21/22 |
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| Gefahrensymbole | C |
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| hazard_note | Corrosive |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8Skin Corr. 1BSkin Sens. 1 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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