HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hydroxyacetonitril
2-HYDROXYACETONITRILE · HYDROXYACETONITRILE · Acetonitrile, hydroxy- · FORMALDEHYDE CYANOHYDRIN · Glyconitrile · HOCH2CN · usafa-8565 · USAF a-8565
Identifikatoren & physikalische Daten
| CAS No. | 107-16-4 |
|---|---|
| Summenformel | C2H3NO |
| Durchschnittliche Molmasse | 57,05 g/mol |
| Monoisotopische Masse | 57,02146372 g/mol |
| SMILES | N#CCO |
| InChIKey | LTYRAPJYLUPLCI-UHFFFAOYSA-N |
| PubChem CID | 7857 |
| ChEBI | CHEBI:137685 |
| EC No. | 203-469-1 |
| DTXSID | DTXSID3025417 |
| Lokaler Name | Hydroxyacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 44 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 41,2 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Electric dipole moment |
| LogP (Verteilungskoeffizient) | -1.6 |
| Geruch | OdorlessOdor similar to that of hydrogen cyanide |
| Geschmack | SWEETISH TASTE |
| Dichte | 1.1 at 66 °F (NIOSH, 2024) - Denser than waterwill sink1.10Relative density (water = 1): 1.11.1 @25 °C(66 °F): 1.101.076 g/mL at 20 °C |
| Color/Form | COLORLESS, WATER-WHITE, OILY LIQUID |
| Löslichkeit | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)Very soluble in water, ethanol, and ethyl etherinsoluble in benzene.Soluble in water, ethanol, and diethyl ether but insoluble in chloroform and benzene.Solubility in water: good>=10 g/100 mL at 20 ºC |
| Flammpunkt | greater than 200 °F (NTP, 1992)Flash point > 200 °F133 °F |
| Siedepunkt | 361 °F at 760 mmHg with slight decomposition (EPA, 1998)183 °C (slight decomp)183 °C @760 [mm Hg]361 °F (Decomposes)183°C |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxide/ and /cyanides/. |
| Schmelzpunkt | Less than -98 °F (EPA, 1998)less than -72 °C<-98 °F-72°C |
| Brechungsindex | n20/D 1.389 |
| pKa (Säurekonstante) | 11.31±0.10(Predicted) |
| Henry-Konstante | 1.3×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| Dielektrizitätskonstante | 27.0(20℃) |
| Stabilität | Stable, but may react violently with alkalies. Incompatible with strong oxidizing agents. |
| InChI | 1S/C2H3NO/c3-1-2-4/h4H,2H2 |
| InChIKey | LTYRAPJYLUPLCI-UHFFFAOYSA-N |
| SMILES | OCC#N |
| CAS Datenbank | 107-16-4(CAS DataBase Reference) |
| NIST chemische Informationen | Acetonitrile, hydroxy-(107-16-4) |
| EPA chemische Informationen | Formaldehyde cyanohydrin (107-16-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Acetonitrile, 2-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetonitrile, 2-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Acetonitrile, hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Moderate explosion hazard when exposed to heat or by spontaneous chemical reaction in the presence of alkalies if uninhibited. When heated to decomposition, it emits highly toxic fumes of cyanide and nitrogen oxides. Unstable, may explode on standing. Hazardous polymerization may occur. avoid the presence of alkalis, and exposure to heat. (EPA, 1998)Combustible. |
| Gesundheitsgefahren | Extremely toxic, exposure by any route should be avoidedmay have fatal consequencesdeath from asphyxiation may occur similar to that resulting from hydrogen cyanide. (EPA, 1998) |
| Gefahrenübersicht | Can cause cyanide poisoning by inhalation or skin routes of exposure[HSDB] A lachrymator[CHEMINFO] See NITRILES. |
| Reaktive Gruppe | Alcohols and Polyols |
| UN-Einstufung | UN Hazard Class: 6.1UN Pack Group: II |
| RCRA-Anforderungen | D003 |
Anwendungen & Verwendung
Verwenden
Solvent and organic intermediate.