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HCID 5284479Erstellt: 29. Oktober 2026

[4-[[4-(Dimethylamino)phenyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz

violet2 · violet5b · violet6b · violet5bn · violetno1 · C.I. 42640 · violetno.1 · woolviolet

https://huagongshe.com/de/chemical/5284479

Molekülstruktur von [4-[[4-(Dimethylamino)phenyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz

Identifikatoren & physikalische Daten

CAS No.1694-09-3
SummenformelC39H40N3NaO6S2
Durchschnittliche Molmasse733,9 g/mol
Monoisotopische Masse733,22562263 g/mol
SMILESCCN(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+]
InChIKeyAXMCIYLNKNGNOT-UHFFFAOYSA-M
PubChem CID5284479
DTXSIDDTXSID7021441
Lokaler Name[4-[[4-(Dimethylamino)phenyl][4-[ethyl(3-sulfonatobenzyl)amino]phenyl]methylen]cyclohexa-2,5-dien-1-yliden](ethyl)(3-sulfonatobenzyl)ammonium, Natriumsalz

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)141
H-Brücken-Donoren0
H-Brücken-Akzeptoren8
Frei drehbare Bindungen10
Schwere Atome51
Formalladung0
Komplexität1.340
StoffklassenCarcinogens
Löslichkeitless than 1 mg/mL at 68 °F (NTP, 1992)DMSO (Slightly), Methanol (Slightly)
Schmelzpunkt473 to 482 °F (decomposes) (NTP, 1992)245-250°C
Physical DescriptionBenzyl violet 4b is a fine black powder. (NTP, 1992)
LagerbedingungenAmber Vial, -20°C Freezer, Under inert atmosphere
AggregatzustandSolid
FarbeBlue
StabilitätIncompatible with strong oxidizing agents.
CAS Datenbank1694-09-3(CAS DataBase Reference)
EPA chemische InformationenC.I. Acid Violet 49 (1694-09-3)

Sicherheit & Vorschriften

GHS-EinstufungWarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)DangerH301: 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)
Regulatorische InformationenHazard Traits - CarcinogenicityThe 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.)
BrandgefahrenFlash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
GesundheitsgefahrenACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of nitrogen oxides, ammonia, sodium oxide and sulfur oxides. (NTP, 1992)
Reaktive GruppeAmines, Phosphines, and Pyridines
Reactivity ProfileBENZYL 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.
Hazard Classes and CategoriesAcute toxicity - category 3CarcinogensCarc. 2
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
Carcinogen ClassificationBenzyl violet 4BGroup 2B: Possibly carcinogenic to humansVolume 16: (1978) Some Aromatic Amines and Related Nitro Compounds – Hair Dyes, Colouring Agents and Miscellaneous Industrial Chemicals1987
RAIS Toxicity Values5.7e-06CALEPA0.02
Wassergefährdungsklasse (WGK)1
TSCA-Inventar-StatusTSCA listed
UN-Transportnummer2811
Zollcode3204.12.5090
RTECS-Nr.BQ1140000
R-Sätze (R)40
GefahrensymboleXn
Sicherheitshinweise (S)36/37-53
Gefahrenklasse6.1
VerpackungsgruppeIII
Gefahrstoffdaten1694-09-3(Hazardous Substances Data)