HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Hydroxyimino)phenylacetonitril
N-hydroxybenziMidoyl cyanide · Einecs 212-546-9 · α-Cyanobenzaldehyde oxime · -Oximinophenylessigsurenitril · (hydroxyimino)phenylacetonitrile · α-(Hydroxyimino)benzeneacetonitrile · ALPHA-HYDROXIMINOPHENYLACETONITRILE · 2-Hydroxyimino-2-phenylacetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 825-52-5 |
|---|---|
| Summenformel | C8H6N2O |
| Durchschnittliche Molmasse | 146,15 g/mol |
| Monoisotopische Masse | 146,04801281 g/mol |
| SMILES | N#CC(=NO)c1ccccc1 |
| InChIKey | MJCQFBKIFDVTTR-UHFFFAOYSA-N |
| PubChem CID | 69998 |
| EC No. | 212-546-9 |
| DTXSID | DTXSID3061182 |
| Lokaler Name | (Hydroxyimino)phenylacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 56,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 195 |
| Schmelzpunkt | 128-130 °C(lit.) |
| Siedepunkt | 293.297±23.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.112±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Aggregatzustand | crystalline solid |
| pKa (Säurekonstante) | 7.800±0.11(predicted) |
| Farbe | Yellow |
| InChI | 1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H |
| InChIKey | MJCQFBKIFDVTTR-UHFFFAOYSA-N |
| SMILES | ON=C(C#N)c1ccccc1 |
| EPA chemische Informationen | Benzeneacetonitrile, .alpha.-(hydroxyimino)- (825-52-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (51.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (51.9%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2928009090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Hydroxyimino-2-phenylacetonitrile may be used in the synthesis of 2-t-butoxycarbonyloxyimino-2-phenylacetonitrile and o-chlorobenzyloxycarbonylimino-2-phenylacetonitrile.