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HCID 87134Erstellt: 24. Oktober 2026
3-Chlorpropanthiol
3-CHLOROPROPANETHIOL · 3-Chloropropane-1-thiol · Einecs 241-496-0 · 3-Chloropropan-1-thiol · 3-CHLORO-1-PROPANETHIOL · 1-Propanethiol, 3-chloro- · 3-Chloro-1-propanethiol 98% · 1-Propanethiol, 3-chloro- (8CI,9CI)
https://huagongshe.com/de/chemical/87134
Identifikatoren & physikalische Daten
| CAS No. | 17481-19-5 |
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| Summenformel | C3H7ClS |
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| Durchschnittliche Molmasse | 110,61 g/mol |
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| Monoisotopische Masse | 109,9956989 g/mol |
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| SMILES | SCCCCl |
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| InChIKey | TZCFWOHAWRIQGF-UHFFFAOYSA-N |
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| PubChem CID | 87134 |
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| EC No. | 241-496-0 |
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| DTXSID | DTXSID20169901 |
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| Lokaler Name | 3-Chlorpropanthiol |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 5 |
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| Formalladung | 0 |
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| Komplexität | 16,4 |
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| Stoffklassen | Other Classes -> Thiols |
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| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
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| Siedepunkt | 145.5 °C (lit.) |
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| Dichte | 1.136 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.4921(lit.) |
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| Flammpunkt | 110 °F |
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| pKa (Säurekonstante) | 10.04±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| InChI | 1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2 |
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| InChIKey | TZCFWOHAWRIQGF-UHFFFAOYSA-N |
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| SMILES | SCCCCl |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 1-Propanethiol, 3-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See 1-Propanethiol. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3336 3/PG 2 |
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| R-Sätze (R) | 10-36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 16-26-36/37/39 |
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| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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