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Kristallviolett (C.I. 42555)
GENTIAN VIOLET · Methyl violet · 304 · gentian · BASIC VIOLET 3 · METHYLROSANILINE · METHYLROSANILINE CHLORIDE · BRILLIANT VIOLET
Identifikatoren & physikalische Daten
| CAS No. | 548-62-9 |
|---|---|
| Summenformel | C25H30N3.Cl |
| Durchschnittliche Molmasse | 408 g/mol |
| SMILES | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-] |
| InChIKey | ZXJXZNDDNMQXFV-UHFFFAOYSA-M |
| PubChem CID | 11057 |
| ChEMBL | CHEMBL64894 |
| ChEBI | CHEBI:41688 |
| EC No. | 208-953-6 |
| DTXSID | DTXSID5020653 |
| Lokaler Name | Kristallviolett (C.I. 42555) |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 9,5 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 542 |
| Stoffklassen | Dyes -> Di- and Triaryl Dyes |
| Kosmetika | Cosmetic ingredients (Basic Violet 3) -> CIR (Cosmetic Ingredient Review) |
| Pestizide | BactericidesActive substance -> EU Pesticides database: Not approved |
| LogP (Verteilungskoeffizient) | log Kow = 0.51 |
| Color/Form | Dark green powder or greenish, glistening pieces with metallic lusterBright blue-violet crystals |
| Löslichkeit | less than 1 mg/mL at 86 °F (NTP, 1992)Very soluble in water, chloroformIn ethylene glycol methyl ether, 30 mg/mLin ethanol, 30 mg/mLSolubility (%): water 0.2-1.7ethanol 3-14acetone 0.4chloroform 5.1insoluble in xyleneIn water, 4,000 mg/L at 25 °Cwater: soluble50g/L at 27°C16 g/L (25 ºC) |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Infective Agents, LocalFDA approved drugs -> Active ingredient |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Decomposition | When heated to decomposition it emits very toxic fumes of Nitrogen oxides and Chloride.215 °C decomposes. |
| Schmelzpunkt | 419 °F (Decomposes) (NTP, 1992)215 °C (decomposes)205 °C (dec.) (lit.) |
| Physical Description | Hexamethyl-p-rosaniline chloride is a green to dark green powder. (NTP, 1992)Green powder, insoluble in water[CAMEO] |
| Ionization Efficiency | Positive4.62.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Siedepunkt | 560.86°C (rough estimate) |
| Dichte | 1.19 g/cm3 at 20 °C |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6010 (estimate) |
| Flammpunkt | 40 °C |
| Lagerbedingungen | room temp |
| pKa (Säurekonstante) | 9.4(at 25℃) |
| Aggregatzustand | Solid |
| Farbe | S. No.: 785 |
| pH | 2.5-3.5 (10g/l, H2O, 20℃) |
| Geruch | Slight characteristic odor |
| Merck | 14,4395 |
| BRN | 4077708 |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong acids. Light-sensitive. Combustible. |
| Hauptanwendungen | Photoresists, lithographic printing plate, printed circuit board, inks, hair dyes, shampoo, drug screening method, bone cement preparation method, microorganisms, hemorrhoids, antifungal, antibacterial, antimalarial agent, dental application |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H31H/q+1/p-1 |
| InChIKey | ZXJXZNDDNMQXFV-UHFFFAOYSA-M |
| SMILES | [Cl-].CN(C)c1ccc(cc1)\C(c2ccc(cc2)N(C)C)=C3/C=C\C(C=C3)=[N+](/C)C |
| LogP (Verteilungskoeffizient) | 1.172 at 25℃ |
| CAS Datenbank | 548-62-9(CAS DataBase Reference) |
| EPA chemische Informationen | Crystal violet (548-62-9) |
| Absorption | passes test |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chlorideHazard Traits - Carcinogenicity2002/2076Status: Active Update: 09-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10024Substance: [4-[4,4'-bis(dimethylamino) benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride (C.I. Basic Violet 3)C.I. Basic violet 3: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Crystal violet and related dyes: Human health tier II assessment |
| Brandgefahren | Flash point data for this compound are not available, however, it is probably combustible. (NTP, 1992) |
| FDA-Anforderungen | The Food and Drug Administration has determined that gentian violet is not generally recognized as safe for use in animal feed and is a food additive subject to section 409 of the Federal Food, Drug, and Cosmetic Act (the act), unless it is intended for use as a new animal drug, in which case it is subject to section 512 of the act. The Food and Drug Administration has determined that gentian violet is not prior sanctioned for any use in animal feed.The Food and Drug Administration (FDA) has determined that gentian violet is not generally recognized as safe and effective for any veterinary drug use in food animals and is a new animal drug subject to section 512 of the Federal Food, Drug, and Cosmetic Act. FDA has determined that gentian violet is not exempted from new animal drug status under the "grandfather" provisions of the Drug Amendments of 1962 (21 U.S.C. 342).The Food and Drug Administration has determined that gentian violet has not been shown by adequate scientific data to be safe for use in animal feed. Use of gentian violet in animal feed causes the feed to be adulterated and in violation of the Federal Food, Drug, and Cosmetic Act (the act), in the absence of a regulation providing for its safe use as a food additive under section 409 of the act, unless it is subject to an effective notice of claimed investigational exemption for a food additive under section 570.17 of this chapter, or unless the substance is intended for use as a new animal drug and is subject to an approved application under section 512 of the act, or an index listing under section 572 of the act, or an effective notice of claimed investigational exemption for a new animal drug under part 511 of this chapter or section 516.125 of this chapter. |
Anwendungen & Verwendung
Beschreibung
Crystal Violet is light sensitive. May react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release gaseous hydrogen.
Occurrence
Gentian is a fl owering perennial found in Europe and Asia.
Verwenden
Crystal Violet is used as an acid-base indicator, an alcohol denaturant, a biological stain, a textile dye and an indicator for copper salts. It is a component of gram staining in microorganisms and cell lines.
Herstellung & Synthese
synthetische
It is manufactured through using N, N-dimethylaniline as raw materials, followed by condensation, addition, chlorination and other reactions. Alternatively, it can be synthesized through the reaction between Michler ketone and N, N-dimethylaniline reaction in the presence of phosphorus oxychloride, followed by azeotropic reaction with hydrochloric acid. Recrystallization in hot water will generate compound containing nine crystal water molecules.