HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzyl hydroxycarbamate
Benzyl hydroxycarbamate · Z-HNOH · Z-NHOH · Cbz-NH-OH · N-Z-HYDROXYLAMINE · N-CBZ-HYDROXYLAMINE · Benyl N-hydroxycarbame · Benyl N-hydroxycarbaMate
Identifikatoren & physikalische Daten
| CAS No. | 3426-71-9 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | O=C(NO)OCc1ccccc1 |
| InChIKey | PQBSPTAPCMSZAA-UHFFFAOYSA-N |
| PubChem CID | 18907 |
| ChEMBL | CHEMBL1086896 |
| EC No. | 679-666-5 |
| DTXSID | DTXSID20187827 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 143 |
| Schmelzpunkt | 65-70 °C(lit.) |
| Siedepunkt | 295.73°C (rough estimate) |
| Dichte | 1.2917 (rough estimate) |
| Brechungsindex | 1.5570 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.20±0.23(Predicted) |
| Farbe | White |
| BRN | 1074034 |
| InChI | InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10) |
| InChIKey | PQBSPTAPCMSZAA-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=CC=C1)(=O)NO |
| CAS Datenbank | 3426-71-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29280000 |
| RTECS-Nr. | FB1600000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-(Benzyloxycarbonyl)hydroxylamine reacts with cyclohepta-1,3-diene to produce 6-oxa-7-aza-bicyclo[3.2.2]non-8-ene-7-carboxylic acid benzyl ester.