HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 98613Erstellt: 2. November 2026
2-Hydrazinyl-4-phenylthiazole
2-hydrazinyl-4-phenylthiazole · Thiazole, 2-hydrazinyl-4-phenyl- · 2-Hydrazino-4-phenylthiazole 97% · 2-HYDRAZINO-4-PHENYLTHIAZOLE, 97% · 2-hydrazinyl-4-phenyl-1,3-thiazole · 4-Phenyl-2(3H)-thiazolone hydrazone
https://huagongshe.com/de/chemical/98613
Identifikatoren & physikalische Daten
| CAS No. | 34176-52-8 |
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| Summenformel | C9H9N3S |
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| Durchschnittliche Molmasse | 191,26 g/mol |
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| Monoisotopische Masse | 191,05171847 g/mol |
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| SMILES | NNc1nc(-c2ccccc2)cs1 |
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| InChIKey | VTOUNUQLXMNNMQ-UHFFFAOYSA-N |
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| PubChem CID | 98613 |
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| ChEMBL | CHEMBL82154 |
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| ChEBI | CHEBI:103947 |
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| EC No. | 626-801-0 |
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| DTXSID | DTXSID8020707 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 79,2 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 159 |
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| Schmelzpunkt | 163-167 °C |
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| Siedepunkt | 374.4±45.0 °C(Predicted) |
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| Dichte | 1.35±0.1 g/cm3(Predicted) |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 0.49±0.40(Predicted) |
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| InChI | 1S/C9H9N3S/c10-12-9-11-8(6-13-9)7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12) |
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| InChIKey | VTOUNUQLXMNNMQ-UHFFFAOYSA-N |
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| SMILES | NNc1nc(cs1)-c2ccccc2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 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. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1/PG 3 |
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| R-Sätze (R) | 22-36 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 OralEye Dam. 1 |
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