HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 66824Erstellt: 27. Oktober 2026
4-Chlorbenzolsulfonamid
PCBS · Para Chloro Benzene sulfonyl Chloride · add55051 · usafma-3 · NSC 9913 · Add 55051 · USAF ma-3 · NSC 403674
https://huagongshe.com/de/chemical/66824
Identifikatoren & physikalische Daten
| CAS No. | 98-64-6 |
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| Summenformel | C6H6ClNO2S |
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| Durchschnittliche Molmasse | 191,64 g/mol |
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| Monoisotopische Masse | 190,9807773 g/mol |
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| SMILES | NS(=O)(=O)c1ccc(Cl)cc1 |
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| InChIKey | HHHDJHHNEURCNV-UHFFFAOYSA-N |
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| PubChem CID | 66824 |
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| ChEMBL | CHEMBL804 |
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| ChEBI | CHEBI:143298 |
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| EC No. | 202-689-5 |
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| DTXSID | DTXSID6052661 |
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| Lokaler Name | 4-Chlorbenzolsulfonamid |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 68,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 213 |
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| Collision Cross Section | 134.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6052661] |
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| Schmelzpunkt | 140-144 °C (lit.) |
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| Siedepunkt | 342.2±44.0 °C(Predicted) |
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| Dichte | 1.408 (estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly)1.322g/L(15 ºC) |
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| pKa (Säurekonstante) | 9.89±0.10(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | White |
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| BRN | 1308891 |
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| InChI | InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10) |
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| InChIKey | HHHDJHHNEURCNV-UHFFFAOYSA-N |
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| SMILES | C1(S(N)(=O)=O)=CC=C(Cl)C=C1 |
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| CAS Datenbank | 98-64-6(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzenesulfonamide, 4-chloro-(98-64-6) |
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| EPA chemische Informationen | Benzenesulfonamide, 4-chloro- (98-64-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatorische Informationen | Chemical: Benzenesulfonamide, 4-chloro- |
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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 | Skin Irrit. 2 (98%)Eye Irrit. 2 (98%)STOT SE 3 (95.9%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29350090 |
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| RTECS-Nr. | DB1400000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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