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(4-((2-Chlorphenyl)(4-(dimethyl-amino)phenyl)methylen)cyclohexa-2,5-dien-1-yliden)dimethyl-ammoniumchlorid
CI 42025 · NSC83193 · NSC 83193 · NSC-83193 · SETOGLAUCIN · CI NO 42025 · SETOGLAUCINE · BASIC BLUE 1
Identifikatoren & physikalische Daten
| CAS No. | 3521-06-0 |
|---|---|
| Summenformel | C23H24Cl2N2 |
| Durchschnittliche Molmasse | 399,4 g/mol |
| Monoisotopische Masse | 398,1316542 g/mol |
| SMILES | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2Cl)cc1.[Cl-] |
| InChIKey | GRPFBMKYXAYEJM-UHFFFAOYSA-M |
| PubChem CID | 107404 |
| EC No. | 222-531-9 |
| DTXSID | DTXSID30883984 |
| Lokaler Name | (4-((2-Chlorphenyl)(4-(dimethyl-amino)phenyl)methylen)cyclohexa-2,5-dien-1-yliden)dimethyl-ammoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 6,3 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 557 |
| Aggregatzustand | powder to crystal |
| Farbe | Orange to Brown to Dark purple |
| CAS Datenbank | 3521-06-0 |
| EPA chemische Informationen | C.I. Basic Blue 1 (3521-06-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.DangerH301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.There is 1 notification provided by 1 of 3 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: Methanaminium, N-[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chlorideMethanaminium, N-[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 3 (33.3%)Eye Irrit. 2 (33.3%)Aquatic Acute 1 (33.3%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 3204.13.8000 |
Herstellung & Synthese
synthetische
2-Chlorobenzaldehyde and N,N-dimethylaniline condensation, and then used lamps and acid oxidation its product.