HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
O-Benzylhydroxylamine
BENZYLOXYAMINE HYDROCHLORIDE · BENZYLOXYAMINE · O-BENZYLHYDROXYLAMINE HCL · Hydroxylamine, O-(phenylmethyl)- · Snr 1635 · AKOS B022277 · AURORA KA-7528 · AURORA KA-2549
Identifikatoren & physikalische Daten
| CAS No. | 622-33-3 |
|---|---|
| Summenformel | C7H9NO |
| Durchschnittliche Molmasse | 123,15 g/mol |
| Monoisotopische Masse | 123,06841391 g/mol |
| SMILES | NOCc1ccccc1 |
| InChIKey | XYEOALKITRFCJJ-UHFFFAOYSA-N |
| PubChem CID | 102313 |
| ChEMBL | CHEMBL443652 |
| EC No. | 612-969-2 |
| DTXSID | DTXSID8073213 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 69 |
| Physical Description | Colorless to pale yellow liquid[MSDSonline] |
| Schmelzpunkt | 238 °C (subl.)(lit.) |
| Siedepunkt | 110-112 °C (20 mmHg) |
| Dichte | 1,058 g/cm3 |
| Dampfdruck | 2.09 hPa (58 °C) |
| Brechungsindex | 1.5410 |
| Flammpunkt | 118-119°C/30mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | Soluble in dimethylsulfoxide and methanol. |
| pKa (Säurekonstante) | 4.70±0.70(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| pH | 8 (47g/l, H2O) |
| BRN | 1906691 |
| InChI | InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2 |
| InChIKey | XYEOALKITRFCJJ-UHFFFAOYSA-N |
| SMILES | NOCC1=CC=CC=C1 |
| EPA chemische Informationen | Hydroxylamine, O-(phenylmethyl)- (622-33-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Gefahrenübersicht | An irritant[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 3 (86.7%)Skin Corr. 1B (13.3%)Skin Irrit. 2 (86.7%)Eye Irrit. 2 (86.7%)STOT SE 3 (88.9%) |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 2928 00 90 |
| RTECS-Nr. | NC3040000 |
| R-Sätze (R) | 36/37/38-25 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 22-24/25-45-26 |
| Gefahrenklasse | 8Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | Ⅱ |
| Lagerklasse | 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Selbstentzündungstemperatur | 260 °C DIN 51794 |
Anwendungen & Verwendung
Verwenden
O-benzylhydroxylamine used in the synthesis of alfa- hydroxybenzylamines from alfa-hydroxyketones. It is also involved in the preparation of hydroxylamines and hydroxyamates.