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Benzophenonhydrazon
(Diphenylmethylene)hydrazine · Tazobactam Impurity 15 · Di(phenyl)methylidenehydrazine · 3-iodo-N-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide · BP hydrazone · Benzophenone h · TIMTEC-BB SBB007642 · Benzophenone hydrazo
Identifikatoren & physikalische Daten
| CAS No. | 5350-57-2 |
|---|---|
| Summenformel | C13H12N2 |
| Durchschnittliche Molmasse | 196,25 g/mol |
| Monoisotopische Masse | 196,10004839 g/mol |
| SMILES | NN=C(c1ccccc1)c1ccccc1 |
| InChIKey | QYCSNMDOZNUZIT-UHFFFAOYSA-N |
| PubChem CID | 79304 |
| ChEMBL | CHEMBL1881268 |
| EC No. | 226-321-8 |
| DTXSID | DTXSID6063806 |
| Lokaler Name | Benzophenonhydrazon |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 191 |
| Löslichkeit | 8.1 [ug/mL] (The mean of the results at pH 7.4)Soluble in ether, benzene, chloroform and other organic solvents. |
| Dampfdruck | 0.000151 [mmHg] |
| Physical Description | White to yellow powder[Acros Organics MSDS] |
| Schmelzpunkt | 95-98 °C (lit.) |
| Siedepunkt | 225-230 °C/55 mmHg (lit.) |
| Dichte | 1.1 |
| Brechungsindex | 1.5014 (estimate) |
| Flammpunkt | 146°C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 1.44±0.70(Predicted) |
| Aggregatzustand | Crystalline Needles or Crystalline Powder |
| Farbe | White to yellow |
| BRN | 1910177 |
| InChI | 1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2 |
| InChIKey | QYCSNMDOZNUZIT-UHFFFAOYSA-N |
| SMILES | N\N=C(/c1ccccc1)c2ccccc2 |
| CAS Datenbank | 5350-57-2(CAS DataBase Reference) |
| NIST chemische Informationen | Methanone, diphenyl-, hydrazone(5350-57-2) |
| EPA chemische Informationen | Methanone, diphenyl-, hydrazone (5350-57-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.DangerH301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (80%): May cause an allergic skin reaction [Warning Sensitization, Skin]H401 (10%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]H411 (80%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 10 reports by companies.There are 4 notifications provided by 9 of 10 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | Chemical: Methanone, diphenyl-, hydrazoneStatus: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21208Benzophenone hydrazone: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 134 mg/kg[RTECS] May cause irritation[Acros Organics MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (80%)Acute Tox. 4 (10%)Skin Sens. 1 (80%)Aquatic Acute 2 (10%)Aquatic Chronic 2 (80%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29280090 |
| RTECS-Nr. | PC4954487 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
An important compound in organic photochemistry and perfumery as well as in organic synthesis. Used in the antibiotics synthesis of 6-APA and 7-ACA of the carboxyl protecting groups and other organic compounds. Used as organic pigment and medical intermediate. It is used as a photoinitiator of UV-curing applications in inks, adhesive, coatings and optical fiber.