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6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalid
CVL · Copikem I · violet lactone · 6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]phthalide · CVIL · HEL70 · IMD50 · HEL-S-105
Identifikatoren & physikalische Daten
| CAS No. | 1552-42-7 |
|---|---|
| Summenformel | C26H29N3O2 |
| Durchschnittliche Molmasse | 415,5 g/mol |
| Monoisotopische Masse | 415,22597717 g/mol |
| SMILES | CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1 |
| InChIKey | IPAJDLMMTVZVPP-UHFFFAOYSA-N |
| PubChem CID | 73773 |
| ChEMBL | CHEMBL1369406 |
| ChEBI | CHEBI:189210 |
| EC No. | 216-293-5 |
| DTXSID | DTXSID8024866 |
| Lokaler Name | 6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalid |
Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 36 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 590 |
| Löslichkeit | less than 1 mg/mL at 72.5 °F (NTP, 1992)<0.1 g/100 mL at 22.5 ºC |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 356 °F (NTP, 1992)180-183°C |
| Physical Description | Crystal violet lactone appears as blue-green crystals or pale green powder. (NTP, 1992)Dry Powder |
| Siedepunkt | 534.12°C (rough estimate) |
| Dichte | 1.1424 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.7120 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4.73±0.24(Predicted) |
| Farbe | White to Light yellow |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | InChI=1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3 |
| InChIKey | IPAJDLMMTVZVPP-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC(N(C)C)=C2)C(C2=CC=C(N(C)C)C=C2)(C2=CC=C(N(C)C)C=C2)O1 |
| LogP (Verteilungskoeffizient) | 4.95 at 25℃ |
| CAS Datenbank | 1552-42-7(CAS DataBase Reference) |
| EPA chemische Informationen | Crystal violet lactone (1552-42-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 49.1% (109 of 222) of reports.WarningH315 (45%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 28-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/220491(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis4-(dimethylamino)phenyl-: 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. |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation. (NTP, 1992) |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | CRYSTAL VIOLET LACTONE may be sensitive to excessive light and heat. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (45%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
Anwendungen & Verwendung
Verwenden
Crystal Violet lactone is an important functional dye for the production of pressure sensitive materials. It is a chemical intermediate , intermediates for thermal/carbonless Paper, used in medicine and biochemical research, a leuco dye..