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HCID 123151Erstellt: 27. Oktober 2026
[2H3]Acetonitril
CD3CN · [D3]acetonitrile · DEUTERATED ACETONITRILE · TRIDEUTEROACETONITRILE · ACETONITRILE-D3, ISOTOPIC PURITY 99% · ACETONITRILE-D3 · Acetonitrile-d? · [2H3]acetonitrile
https://huagongshe.com/de/chemical/123151
Identifikatoren & physikalische Daten
| CAS No. | 2206-26-0 |
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| Summenformel | C2H3N |
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| Durchschnittliche Molmasse | 44,07 g/mol |
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| Monoisotopische Masse | 44,04537933 g/mol |
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| SMILES | [2H]C([2H])([2H])C#N |
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| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
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| PubChem CID | 123151 |
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| ChEBI | CHEBI:193038 |
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| EC No. | 218-616-5 |
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| DTXSID | DTXSID50176547 |
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| Lokaler Name | [2H3]Acetonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 0 |
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| Polarare Oberfläche (TPSA) | 23,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 3 |
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| Formalladung | 0 |
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| Komplexität | 29,3 |
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| Stoffklassen | Nitrogen Compounds -> Nitriles |
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| Dichte | 0.849 @ 20°C0.844 g/mL at 25 °C(lit.) |
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| Siedepunkt | 81.3 °C @760 [mm Hg]81,6°C |
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| Schmelzpunkt | -45 °C-46 °C |
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| Dampfdruck | 74 [mm Hg] @20 °C97 hPa (20 °C) |
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| Physical Description | Colorless liquid[MSDSonline] |
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| Brechungsindex | n20/D 1.341(lit.) |
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| Flammpunkt | 42 °F |
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| Lagerbedingungen | Store below +30°C. |
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| Löslichkeit | soluble in Most Organic SolventsMiscible with water, ethanol, diethyl ether, acetone, benzene, methanol, methyl acetate, ethyl acetate, acetamide solutions, chloroform, carbon tetrachloride, ethylene chloride and unsaturated hydrocarbons. Immiscible with saturated hydrocarbons. |
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| Aggregatzustand | Liquid In Prescored Ampoules, (0.75Ml/ampoule) |
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| Wichte | 0.844 |
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| Farbe | Colorless |
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| Explosionsgrenze | 3.0-16%(V) |
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| Merck | 14,70 |
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| BRN | 1740230 |
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| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. |
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| InChI | 1S/C2H3N/c1-2-3/h1H3/i1D3 |
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| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
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| SMILES | [2H]C([2H])([2H])C#N |
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| CAS Datenbank | 2206-26-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (96.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Acetonitrile-D3: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | A severe eye irritantCan cause health effects like cyanide[MSDSonline] See Acetonitrile. |
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| Hazard Classes and Categories | Flam. Liq. 2 (96.4%) |
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| Protective Action Criteria (PAC) | 13 [ppm]50 [ppm]150 [ppm] |
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| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
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| Toxicity Data | LC50 (mice) = 2,693 ppm/1h |
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| F | 10 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 1993 3/PG 3 |
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| Zollcode | 2845 90 10 |
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| R-Sätze (R) | 11-20/21/22-36-36/37/38-23/24/25-10 |
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| Toxizität | LD50 orally in Rabbit: 2730 - 3800 mg/kg LD50 dermal Rabbit 988 mg/kg |
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| Gefahrensymbole | T,F,Xn |
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| Sicherheitshinweise (S) | 16-36/37-45-27-26 |
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| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2 |
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![Molekülstruktur von [2H3]Acetonitril](/img/chemical/123151.png)