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Benzhydrylamin
BENZHYDRYLAMINE · AMINODIPHENYLMETHANE · 1,1-Diphenylmethanamine · NSC 49127 · AURORA KA-7667 · Benzyldrylamine · Benzhydralamine · benzohydrylamine
Identifikatoren & physikalische Daten
| CAS No. | 91-00-9 |
|---|---|
| Summenformel | C13H13N |
| Durchschnittliche Molmasse | 183,25 g/mol |
| Monoisotopische Masse | 183,10479942 g/mol |
| SMILES | NC(c1ccccc1)c1ccccc1 |
| InChIKey | MGHPNCMVUAKAIE-UHFFFAOYSA-N |
| PubChem CID | 7036 |
| ChEMBL | CHEMBL467503 |
| EC No. | 202-032-2 |
| DTXSID | DTXSID00238346 |
| Lokaler Name | Benzhydrylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 137 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 12 °C (lit.) |
| Siedepunkt | 295 °C (lit.) |
| Dichte | 1.063 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.595(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | Chloroform, DMSO, MethanolMiscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.41±0.10(Predicted) |
| Wichte | 1.063 |
| Farbe | Clear colorless to yellow |
| Merck | 14,1076 |
| BRN | 776434 |
| InChI | 1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2 |
| InChIKey | MGHPNCMVUAKAIE-UHFFFAOYSA-N |
| SMILES | NC(c1ccccc1)c2ccccc2 |
| CAS Datenbank | 91-00-9(CAS DataBase Reference) |
| NIST chemische Informationen | Aminodiphenylmethane(91-00-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20460Benzenemethanamine, .alpha.-phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (98.1%) |
| F | 9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29214990 |
| RTECS-Nr. | DA4407300 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Benzhydrylamine is fine-chemical intermediate used for chiral resolution. It acts as an active pharmaceutical ingredient intermediate. It is also employed as a building block for chemical synthesis. Further, it is used in the preparation of furan-2-carboxylic acid benzhydrylamide by reacting with furan-2-carbonyl chloride.