HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 145621Erstellt: 23. Oktober 2026
2-Methyl-4-nitrophenyl isothiocyanate
2-METHYL-4-NITROPHENYL · 2-METHYL-4-NITROPHENYL ISOTHIOCYANATE · 2-Methyl-4-nitrophenyl isothiocyate, 98% · 1-Isothiocyanato-2-methyl-4-nitrobenzene · Benzene, 1-isothiocyanato-2-methyl-4-nitro- · Benzene, 1-isothiocyanato-2-methyl-4-nitro- (9CI)
https://huagongshe.com/de/chemical/145621
Identifikatoren & physikalische Daten
| CAS No. | 135805-96-8 |
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| Summenformel | C8H6N2O2S |
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| Durchschnittliche Molmasse | 194,21 g/mol |
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| Monoisotopische Masse | 194,01499843 g/mol |
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| SMILES | Cc1cc([N+](=O)[O-])ccc1N=C=S |
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| InChIKey | JEWJPETZSUMXII-UHFFFAOYSA-N |
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| PubChem CID | 145621 |
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| EC No. | 671-347-9 |
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| DTXSID | DTXSID90159531 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 90,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 245 |
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| Schmelzpunkt | 82 °C |
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| CAS Datenbank | 135805-96-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANT |
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