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Diphenylcarbamoylchlorid
DIPHENYLCARBAMOYL CHLORIDE · Diphenylcarbamic chloride · N,N-Diphenylcarbamoyl chloride · N,N-DIPHENYLCARBAMYL CHLORIDE · βk-MMDMA · TIMTEC-BB SBB000709 · 5-Methoxy-Methylone · Diphenylcarbamyl chl
Identifikatoren & physikalische Daten
| CAS No. | 83-01-2 |
|---|---|
| Summenformel | C13H10ClNO |
| Durchschnittliche Molmasse | 231,68 g/mol |
| Monoisotopische Masse | 231,04509162 g/mol |
| SMILES | O=C(Cl)N(c1ccccc1)c1ccccc1 |
| InChIKey | XNBKKRFABABBPM-UHFFFAOYSA-N |
| PubChem CID | 65741 |
| EC No. | 201-450-2 |
| DTXSID | DTXSID2058885 |
| Lokaler Name | Diphenylcarbamoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 214 |
| Stoffklassen | Toxic Gases & Vapors -> Acid Halides |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | White solid[Merck Index] Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 83-85 °C |
| Siedepunkt | 207°C (rough estimate) |
| Dichte | 1.1781 (rough estimate) |
| Brechungsindex | 1.6330 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | organic solvents: solublereacts |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | -4.13±0.50(Predicted) |
| Farbe | Beige to gray-green |
| BRN | 515312 |
| InChI | 1S/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
| InChIKey | XNBKKRFABABBPM-UHFFFAOYSA-N |
| SMILES | ClC(=O)N(c1ccccc1)c2ccccc2 |
| CAS Datenbank | 83-01-2(CAS DataBase Reference) |
| NIST chemische Informationen | Diphenylcarbamoyl chloride(83-01-2) |
| EPA chemische Informationen | Carbamic chloride, diphenyl- (83-01-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 04-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20837Diphenylcarbamyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes kidney and bladder changes in oral lethal-dose studies of rats[RTECS] CorrosiveMay cause skin sensitization[Merck Index] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] See Dimethyl carbamoyl chloride. Search for (83-01-2[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results[PubMed] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29242995 |
| RTECS-Nr. | EY5065000 |
| R-Sätze (R) | 34-43-29 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A |
| Gefahrenklasse | 8Skin Corr. 1BSkin Sens. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N,N-Diphenylcarbamyl Chloride (Temozolomide USP Related Compound C) is used in the production of a high performance polyamide used as an electrical switch for memory devices. Also used in the synthesis of modified oligoribonucleotides base pairs.