[4-[[4-(Dimethylamino)phenyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz
Benzyl Violet 4B
Grundinformationen
- CAS
1694-09-3- Standard-SMILES
CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)cc1.[Na+]- InChIKey
AXMCIYLNKNGNOT-UHFFFAOYSA-M- Summenformel
- C39H40N3NaO6S2
- Durchschnittliche Molmasse
- 733,9 g/mol
- Monoisotopische Masse
- 733,22562263
Überblick
Benzyl Violet 4B can cause cancer according to an independent committee of scientific and health experts.
Namen und Bezeichner
- Bevorzugter Name
- Benzyl Violet 4B
- IUPAC
- sodium 3-[[4-[(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methyl]-N-ethylanilino]methyl]benzenesulfonate
- Lokaler Name
- [4-[[4-(Dimethylamino)phenyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz
- Englischer Name
- Acid Violet 49
- Summenformel
- C39H42N3NaO6S2
- Molmasse
- 735.89
Namen und Synonyme
Benzyl Violet 4BDTXSID7021441RefChem:916990DTXCID501441Acid violet 6BFood Violet 2C.I. Acid Violet 49FD & C Violet No. 1Sodium 3-(((4-((4-(dimethylamino)phenyl)(4-(ethyl(3-sulfonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio)methyl)benzenesulfonateBenzyl Violet (Technical Grade)MFCD00054261Coomassie Violet; D and C Violet No. 1
Weitere Namen anzeigen
violet2violet5bviolet6bviolet5bnvioletno1C.I. 42640violetno.1woolviolet11386violetACID VIOLET
C39H40N3NaO6S2SCHEMBL5444580SCHEMBL9108467SCHEMBL29350184BAA69409AKOS015903676AKOS024421062fd&c violet no. 1 (c.i. 42640)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 141 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 51
- Formalladung
- 0
- Komplexität
- 1.340
Experimentelle und physikochemische Eigenschaften
Chemical ClassesCarcinogens
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point473 to 482 °F (decomposes) (NTP, 1992)
Physical DescriptionBenzyl violet 4b is a fine black powder. (NTP, 1992)
Physikochemische Eigenschaften
- Schmelzpunkt
- 245 · 245-250°C
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Blue
- Stabilität
- Incompatible with strong oxidizing agents.
- CAS Datenbank
- 1694 · 1694-09-3(CAS DataBase Reference)
- EPA chemische Informationen
- 49 · C.I. Acid Violet 49 (1694-09-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Hazard Traits - Carcinogenicity
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of nitrogen oxides, ammonia, sodium oxide and sulfur oxides. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
BENZYL VIOLET 4B neutralizes acids in weakly exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.
Air and Water ReactionsInsoluble in water.
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFood Additives -> COLOUR -> JECFA Functional Classes
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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