[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 an organic cationic dye compound with distinctive triarylmethane structure and intense coloring properties. This synthetic organic compound, commonly known as Crystal Violet or Basic Violet 3, belongs to the triarylmethane dye family and exhibits remarkable tinctorial strength with characteristic violet coloration. With a molecular formula of C25H30ClN3 and molecular weight of 408 g/mol, this quaternary ammonium salt demonstrates excellent solubility in polar solvents and strong affinity for various substrates. The compound's unique chemical structure features three dimethylamino-substituted aromatic rings connected through a central carbon atom, creating an extended conjugated system responsible for its intense chromophoric properties. The substance requires careful handling due to its classification as Carcinogenic 1B and Acute Toxicity 4, necessitating appropriate personal protective equipment and engineering controls. Additional hazard classifications include Eye Damage 1 and Aquatic toxicity (both Acute 1 and Chronic 1), reflecting its potential environmental impact. The compound is regulated under ADR Class 9 for transportation purposes, requiring compliance with specific packaging and labeling requirements. Primary industrial applications include textile dyeing processes, particularly for silk, wool, and cotton fabrics, where it provides excellent color fastness and intensity. The compound also serves as a biological stain in laboratory applications and as a pH indicator in analytical chemistry. In certain formulations, it may be used alongside related compounds such as benzene-1,4-diol for specialized applications requiring specific performance characteristics. This technical-grade chemical product is available through OYSI's European distribution network, supported by comprehensive regulatory documentation and quality assurance protocols.

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 the molecular formula C25H30ClN3 and CAS number 548-62-9. This chemical substance has a molecular weight of 408 g/mol and belongs to the triarylmethane dye family. It is classified as a hazardous substance with carcinogenic properties (Category 1B) and requires careful handling due to its potential health and environmental risks.

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 solid crystalline compound at room temperature with a characteristic deep color typical of triarylmethane dyes. As an ionic compound containing a chloride anion, it demonstrates good solubility in polar solvents, particularly water and alcohols. The compound's molecular structure, featuring dimethylamino groups and an extended conjugated system, contributes to its distinctive optical properties and chemical behavior.

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 applications include laboratory research, analytical chemistry procedures, and specialized manufacturing processes where intense coloration is required. Due to its carcinogenic classification (Carc. 1B), its use is restricted to professional and industrial settings with appropriate safety controls, and it is not suitable for consumer applications or direct human contact.

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 must be handled with extreme caution due to its carcinogenic properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles or face shield, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Given its Acute Tox. 4 and Eye Dam. 1 classifications, avoid all skin and eye contact, and ensure emergency eyewash stations are readily accessible.

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 should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight. Due to its carcinogenic classification, storage must comply with local regulations for hazardous substances. Keep containers clearly labeled and segregated from incompatible materials. Storage areas should be secure, accessible only to trained personnel, and equipped with appropriate spill containment measures to prevent environmental contamination.

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 for any contact with [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek medical attention urgently due to its Eye Dam. 1 classification. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always provide the safety data sheet to medical personnel.

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

[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 classifications (Aquatic Acute 1, Aquatic Chronic 1). Disposal must comply with local and European waste regulations. Contact licensed hazardous waste disposal companies for proper collection and treatment. Never dispose of this substance through regular waste streams or pour down drains, as this would cause serious environmental contamination and legal violations.

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 under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. Packages must be properly labeled with appropriate hazard markings and transport documents must accompany shipments. The substance requires specialized packaging that meets UN specification requirements. Transportation should only be conducted by trained personnel familiar with dangerous goods regulations and emergency response procedures for chemical spills.

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

[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride is subject to strict regulatory oversight under European REACH and CLP regulations due to its hazardous properties. While not currently listed as a Substance of Very High Concern (SVHC), its Carc. 1B classification means it faces potential restrictions and requires comprehensive risk assessments. Users must comply with occupational exposure limits, workplace safety regulations, and environmental protection measures. Registration and authorization may be required depending on quantities and intended use.

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 this substance to qualified professional and industrial customers who demonstrate proper handling capabilities and legitimate use requirements. Due to the substance's hazardous classification, procurement requires verification of appropriate safety measures, trained personnel, and compliance with regulatory requirements. Contact OYSI directly for availability, technical specifications, and regulatory documentation.

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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.