[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride

C25H30ClN3

CAS548-62-9
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
548-62-9
EC Number
208-953-6
UN Number
3077
Index Number
612-204-00-2
PubChem CID
11057

Physical-chemical properties

Molecular Formula
C25H30ClN3
Molar Mass
408.00 g/mol
IUPAC Name
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride

Chemical Identifiers

InChI
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,1-6H3;1H/q+1;/p-1
InChI Key
ZXJXZNDDNMQXFV-UHFFFAOYSA-M

Overview

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride (CAS 548-62-9) is a triarylmethane dye compound with intense coloring properties and potential carcinogenic classification. This synthetic organic compound, also known by its EC number 208-953-6, represents a sophisticated triarylmethane derivative with a molecular formula of C25H30ClN3 and molecular weight of 408 g/mol. The molecule features a complex structure built around a central methane carbon bearing three aromatic rings, with dimethylamino substituents that contribute to its distinctive chromophoric properties. The quaternary ammonium chloride salt formation enhances its stability and solubility characteristics in polar media. From a safety perspective, this compound requires careful handling protocols due to its classification as a Category 1B carcinogen under the GHS system. The substance also presents acute toxicity concerns, severe eye damage potential, and significant aquatic toxicity both for acute and chronic exposure scenarios. The presence of GHS08, GHS07, GHS05, and GHS09 pictograms on safety documentation reflects these multiple hazard categories, while its ADR Class 9 classification governs transportation requirements. Industrial applications typically focus on specialized dyeing processes, analytical chemistry applications, and research purposes where intense coloration is required. The compound's photochemical properties make it valuable in certain photographic and imaging technologies. Unlike simpler compounds such as benzene-1,4-diol, this triarylmethane derivative offers enhanced color stability and intensity for demanding applications. OYSI maintains this specialized chemical compound in its European distribution network, ensuring proper handling, documentation, and regulatory compliance for industrial customers requiring high-quality triarylmethane derivatives.

Safety & Classification

Danger
Classification:

Carc. 1B; Acute Tox. 4 *; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

H302

Harmful if swallowed.

H318

Causes serious eye damage.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name[4-[4,4'-Bis(dimethylamino)benzhydryliden]cyclohexa-2,5-dien-1-yliden]dimethylammoniumchlorid
Marine PollutantNo

Frequently Asked Questions

What is [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is a synthetic organic compound with CAS number 548-62-9. This substance belongs to the triarylmethane dye family and has a molecular formula of C25H30ClN3 with a molecular weight of 408 g/mol. It is classified as a Category 1B carcinogen and presents significant health and environmental hazards requiring careful handling and appropriate safety measures.

What are the physicochemical properties of [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is a crystalline solid at room temperature with intense coloring properties typical of triarylmethane dyes. The compound contains multiple aromatic rings with dimethylamino substituents, contributing to its chemical stability and dyeing characteristics. As an ionic compound with a chloride counter-ion, it typically exhibits good water solubility and forms colored solutions.

What is [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride used for?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is primarily used as a synthetic dye in various industrial applications. Its triarylmethane structure makes it valuable for textile dyeing, biological staining, and analytical chemistry applications. The compound may also find use in research laboratories for specific chemical analyses and as a coloring agent in specialized industrial processes requiring intense coloration properties.

How to handle [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride safely?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride requires strict safety protocols due to its carcinogenic properties. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin and eye contact, inhalation, and ingestion. Use appropriate engineering controls and ensure all personnel are trained in handling carcinogenic substances according to local safety regulations.

How to store [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride correctly?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from light and moisture. Due to its carcinogenic classification, storage requires restricted access with appropriate warning labels. Store separately from food, feed, and oxidizing agents. Ensure storage areas comply with local regulations for carcinogenic substances and maintain proper inventory control.

What to do in case of contact with [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride?

Immediate action is required upon contact with [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet.

How to dispose of [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride appropriately?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride must be disposed of as hazardous waste due to its carcinogenic properties and environmental toxicity. Disposal must comply with local, national, and EU waste regulations. Use only licensed hazardous waste disposal companies and ensure proper waste classification codes are applied. Never dispose of in regular waste streams or discharge into sewers or water bodies. Maintain proper documentation of all disposal activities.

How to transport [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III. Transportation requires appropriate packaging, labeling, and documentation according to ADR regulations. Packages must display proper hazard labels and shipping names. Transport vehicles must comply with ADR requirements including proper ventilation and emergency equipment. Only trained personnel should handle transportation operations.

Is [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride subject to specific regulations?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is subject to strict EU regulations including REACH and CLP classifications. As a Category 1B carcinogen, it requires special handling procedures, safety data sheets, and worker protection measures. The substance is not currently listed as an SVHC but may be subject to authorization requirements or restrictions. Companies must ensure compliance with occupational health regulations and proper risk assessment procedures.

Where to buy [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride in Europe?

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is available through OYSI, a specialized European distributor of chemical products. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support. As a carcinogenic substance, purchase requires verification of proper handling capabilities and legitimate use. Contact OYSI directly for availability, specifications, and regulatory guidance for your specific application requirements.

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[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.