Lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate

C24H21LiN2O5S

lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate

CAS125328-86-1
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
125328-86-1
EC Number
411-140-0
UN Number
3077
Index Number
612-173-00-5
PubChem CID
44148030

Physical-chemical properties

Molecular Formula
C24H21LiN2O5S
Molar Mass
456.50 g/mol
IUPAC Name
lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate

Chemical Identifiers

InChI
InChI=1S/C24H22N2O5S.Li/c1-24(2,3)13-8-10-14(11-9-13)26-17-12-18(32(29,30)31)21(25)20-19(17)22(27)15-6-4-5-7-16(15)23(20)28;/h4-12,26H,25H2,1-3H3,(H,29,30,31);/q;+1/p-1
InChI Key
IPTJQEQKMPTMID-UHFFFAOYSA-M

Overview

Lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate (CAS 125328-86-1) is an anthraquinone-based specialty chemical compound with dye intermediate and colorant properties. This complex organic lithium salt represents an advanced anthracene derivative featuring both amino and anilino functional groups, making it a valuable intermediate in specialty chemical manufacturing. With the molecular formula C24H21LiN2O5S and a molecular weight of 456.5 g/mol, this compound belongs to the anthraquinone family, which is widely recognized for its diverse applications in industrial chemistry, particularly in colorant and dye synthesis. The compound's structure incorporates a tert-butyl group attached to the aniline moiety, providing enhanced stability and specific performance characteristics. This structural feature distinguishes it from simpler aromatic compounds like 2-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, though both share industrial applications in specialty chemical synthesis. The presence of the sulfonate group contributes to improved water solubility and processing characteristics. From a safety perspective, this substance requires careful handling due to its classification as Eye Dam. 1, Skin Sens. 1, and Aquatic Chronic 2, warranting appropriate protective measures and environmental considerations during use. The compound falls under ADR Class 9 for transportation purposes. Primary industrial applications include use as a dye intermediate, specialty colorant precursor, and advanced organic synthesis building block. The textile, printing, and specialty chemicals industries utilize such compounds for developing high-performance colorants and functional materials. OYSI provides reliable access to lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate for qualified industrial customers across European markets, supported by comprehensive technical documentation and regulatory compliance.

Safety & Classification

Danger
Classification:

Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H411

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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

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:

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 NameLithium-1-amino-4-(4-tert-butylanilino)-anthrachinon-2-sulfonat
Marine PollutantNo

Frequently Asked Questions

What is lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate?

Lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate is an organic lithium salt compound with the molecular formula C24H21LiN2O5S and CAS number 125328-86-1. This anthraquinone derivative has a molecular weight of 456.5 g/mol and contains amino, sulfonyl, and tert-butyl functional groups. The compound is classified as hazardous due to its potential for causing serious eye damage and skin sensitization.

What are the physicochemical properties of lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate?

Lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate is a solid compound at room temperature with a molecular weight of 456.5 g/mol. As an anthraquinone derivative, it likely exhibits characteristic coloration properties typical of this chemical class. The presence of the lithium sulfonate group suggests good water solubility, while the organic backbone provides compatibility with various solvents. Specific physical properties such as melting point and density require experimental determination.

What is lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate used for?

Lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate is primarily used in industrial dyeing and coloration applications due to its anthraquinone structure. The compound may serve as an intermediate in the synthesis of dyes, pigments, or colorants for textiles, plastics, or other materials. Its specific molecular structure with amino and sulfonate groups makes it suitable for applications requiring water-soluble colorants or as a precursor in specialized chemical synthesis processes.

How to handle lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to the Eye Dam. 1 and Skin Sens. 1 classifications. Work in well-ventilated areas or use local exhaust ventilation to minimize exposure. Avoid direct contact with skin and eyes, and prevent inhalation of dust or vapors. Wash hands thoroughly after handling and before eating or drinking. Store containers tightly closed when not in use.

How to store lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate correctly?

Proper storage requires keeping the compound in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Store separately from incompatible materials such as strong oxidizers and acids. Maintain storage temperature within recommended ranges and protect from moisture to prevent degradation. Ensure containers are properly labeled and stored in accordance with local regulations. Regular inspection of storage conditions and container integrity is recommended.

What to do in case of contact with lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate?

Immediate first aid is crucial due to the serious eye damage potential (Eye Dam. 1). For eye contact, flush immediately with plenty of water for at least 15 minutes and seek immediate medical attention. For skin contact, wash thoroughly with soap and water and remove contaminated clothing. If inhaled, move to fresh air and seek medical attention if symptoms develop. In case of ingestion, do not induce vomiting and seek immediate medical attention.

How to dispose of lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate appropriately?

Disposal must comply with local and national environmental regulations due to the Aquatic Chronic 2 classification. The compound should be disposed of through licensed hazardous waste disposal facilities and never released to sewers, waterways, or soil. Container disposal must follow appropriate waste codes and classification requirements. Consult with waste disposal specialists to ensure compliance with REACH and waste framework directives. Incineration may be suitable under controlled conditions.

How to transport lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate?

Transportation follows ADR Class 9 (Miscellaneous dangerous substances) regulations with Packing Group III classification. Packages must be properly labeled with appropriate hazard markings and documentation. Use approved packaging materials and ensure containers are secure and properly sealed during transport. Drivers must carry appropriate transport documentation and emergency response information. Comply with quantity limitations and segregation requirements as specified in ADR regulations for Class 9 substances.

Is lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate subject to specific regulations?

The compound is subject to CLP regulation requirements with mandatory hazard classification (Eye Dam. 1, Skin Sens. 1, Aquatic Chronic 2) and appropriate labeling with GHS05, GHS07, and GHS09 pictograms. REACH registration may apply depending on import/manufacture volumes. The substance is not currently listed as SVHC (Substance of Very High Concern). Compliance with occupational exposure limits and environmental discharge restrictions may apply under national implementations of EU chemical legislation.

Where to buy lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate in Europe?

OYSI serves as a reliable European distributor for lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate, offering professional-grade chemical supplies to industrial customers across Europe. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this specialized compound. Contact OYSI directly for availability, specifications, and pricing information. All shipments include appropriate safety documentation and comply with European transport and chemical regulations.

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Lithium 1-amino-4-(4-tert-butylanilino)-9,10-dioxoanthracene-2-sulfonate 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.