HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 66038Erstellt: 26. Oktober 2026
4-(Methylthio)anilin
4-(METHYLTHIO)ANILINE · p-Thiomethoxyaniline · AKOS 91153 · P-THIOANISIDINE · P-AMINOTHIOANISOLE · 4-AMINOTHIOANISOLE · TIMTEC-BB SBB006658 · 4-(Methylmercapto)an
https://huagongshe.com/de/chemical/66038
Identifikatoren & physikalische Daten
| CAS No. | 104-96-1 |
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| Summenformel | C7H9NS |
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| Durchschnittliche Molmasse | 139,22 g/mol |
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| Monoisotopische Masse | 139,04557029 g/mol |
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| SMILES | CSc1ccc(N)cc1 |
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| InChIKey | YKFROQCFVXOUPW-UHFFFAOYSA-N |
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| PubChem CID | 66038 |
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| ChEBI | CHEBI:167852 |
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| EC No. | 203-256-3 |
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| DTXSID | DTXSID7059309 |
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| Lokaler Name | 4-(Methylthio)anilin |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 51,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 77 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 156-158 °C |
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| Siedepunkt | 272-273 °C(lit.) |
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| Dichte | 1.119 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.639(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | Liquid |
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| pKa (Säurekonstante) | 4.35(at 25℃) |
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| Farbe | Clear orange to brown-red |
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| BRN | 774506 |
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| InChI | InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3 |
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| InChIKey | YKFROQCFVXOUPW-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC=C(SC)C=C1 |
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| CAS Datenbank | 104-96-1(CAS DataBase Reference) |
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| NIST chemische Informationen | 4-Methylmercaptoaniline(104-96-1) |
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| EPA chemische Informationen | Benzenamine, 4-(methylthio)- (104-96-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
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| Hazard Classes and Categories | Acute Tox. 4 (15.2%) |
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| F | 2-8-10-13 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | 2810 |
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| Zollcode | 29309090 |
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| RTECS-Nr. | BY6302000 |
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| R-Sätze (R) | 36/37/38-22 |
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| Toxizität | LD50 orl-qal: 562 mg/kg AECTCV 12,355,83 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant/Stench |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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