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HCID 15892Erstellt: 27. Oktober 2026
3,4,5-Trimethoxybenzonitril
TIMTEC-BB SBB007562 · 3,4,5-Trimethoxybenz · 5-TriMethoxybenzonitrile · 3,4,5-TRIMETHOXYBENZONITRILE · 3,4,5-trimethoxy-benzonitril · Benzonitrile, 3,4,5-trimethoxy- · 3,4,5-TRIMETHOXYBENZONITRILE 98+% · 3,4,5-Trimethoxybenzonitrile, 97+%
https://huagongshe.com/de/chemical/15892
Identifikatoren & physikalische Daten
| CAS No. | 1885-35-4 |
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| Summenformel | C10H11NO3 |
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| Durchschnittliche Molmasse | 193,2 g/mol |
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| Monoisotopische Masse | 193,07389321 g/mol |
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| SMILES | COc1cc(C#N)cc(OC)c1OC |
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| InChIKey | OSBQUSPVORCDCU-UHFFFAOYSA-N |
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| PubChem CID | 15892 |
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| EC No. | 217-550-4 |
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| DTXSID | DTXSID70172203 |
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| Lokaler Name | 3,4,5-Trimethoxybenzonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 51,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 209 |
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| Schmelzpunkt | 91-94 °C (lit.) |
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| Siedepunkt | 180-185 °C/10 mmHg (lit.) |
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| Dichte | 1.2307 (rough estimate) |
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| Brechungsindex | 1.5300 (estimate) |
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| Flammpunkt | 180-185°C/10mm |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Orange to Green |
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| BRN | 979686 |
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| InChI | InChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3 |
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| InChIKey | OSBQUSPVORCDCU-UHFFFAOYSA-N |
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| SMILES | C(#N)C1=CC(OC)=C(OC)C(OC)=C1 |
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| CAS Datenbank | 1885-35-4(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzonitrile, 3,4,5-trimethoxy-(1885-35-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 45 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 | 3,4,5-Trimethoxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 29269090 |
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| RTECS-Nr. | DI4965000 |
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| R-Sätze (R) | 20/21/22-36/37/38-21/22 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-37/39-36/37 |
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| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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