Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate

C28H22N3NaO7S2

sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate

CAS84057-97-6
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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Identification

CAS Number
84057-97-6
EC Number
400-100-8
UN Number
3077
Index Number
016-065-00-3
PubChem CID
44144785

Physical-chemical properties

Molecular Formula
C28H22N3NaO7S2
Molar Mass
599.60 g/mol
IUPAC Name
sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate

Chemical Identifiers

InChI
InChI=1S/C28H23N3O7S2.Na/c1-15-7-11-18(12-8-15)39(34,35)31-17-10-9-16(2)21(13-17)30-22-14-23(40(36,37)38)26(29)25-24(22)27(32)19-5-3-4-6-20(19)28(25)33;/h3-14,30-31H,29H2,1-2H3,(H,36,37,38);/q;+1/p-1
InChI Key
HUVRATWEFXEASA-UHFFFAOYSA-M

Overview

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate (CAS 84057-97-6) is an anthraquinone-based sulfonate compound with complex aromatic structure and water-soluble properties. This specialized chemical compound belongs to the anthraquinone sulfonate family, characterized by its distinctive molecular architecture combining an anthraquinone core with sulfonamide and aniline substituents. With a molecular formula of C28H22N3NaO7S2 and molecular weight of 599.6 g/mol, this sodium salt exhibits enhanced water solubility compared to its non-ionic counterparts. The compound's structure features multiple functional groups including amino, sulfonate, and sulfonamide moieties, which contribute to its unique chemical properties and potential applications. From a safety perspective, this substance is classified under Aquatic Chronic 2 hazard category with GHS09 pictogram, indicating potential long-term environmental effects on aquatic organisms. Transport classification falls under ADR Class 9 (miscellaneous dangerous substances), requiring appropriate handling protocols during shipment and storage. The compound's environmental classification necessitates careful consideration of disposal methods and containment procedures to minimize ecological impact. Industrial applications typically include specialized dyeing processes, advanced chemical synthesis intermediates, and research applications where complex aromatic sulfonates are required. The compound's structural similarity to other aromatic amine derivatives like 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline makes it valuable in comparative studies and specialized synthetic pathways. Its unique combination of functional groups provides versatility in chemical modification and derivatization reactions. OYSI maintains strategic partnerships with certified manufacturers to ensure reliable supply of this specialized anthraquinone sulfonate compound for European industrial customers.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameNatrium-1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)-phenylamino]anthrachinon-2-sulfonat
Marine PollutantNo

Frequently Asked Questions

What is sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate is a complex organic compound with the molecular formula C28H22N3NaO7S2 and CAS number 84057-97-6. This anthraquinone derivative has a molecular weight of 599.6 g/mol and contains multiple functional groups including amino, sulfonyl, and sulfonate moieties. It is classified as an aquatic chronic toxicant category 2 under the GHS system.

What are the physicochemical properties of sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate is a solid compound at room temperature with a molecular weight of 599.6 g/mol. As an anthraquinone derivative with sulfonate groups, it typically exhibits good water solubility due to its ionic nature. The presence of aromatic rings and conjugated systems may impart color to the substance, though specific color characteristics would require analytical verification.

What is sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate used for?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate is typically used as a colorant or dye intermediate in industrial applications. Its anthraquinone structure makes it suitable for textile dyeing, printing inks, and other coloring applications. The compound may also serve as a chemical intermediate in the synthesis of more complex organic molecules or specialized dyes with specific color properties.

How to handle sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate safely?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate should be handled using standard chemical safety practices. Wear appropriate personal protective equipment including safety glasses, gloves, and lab coats. Work in well-ventilated areas to minimize dust exposure. Avoid direct skin and eye contact. Due to its aquatic chronic toxicity classification, prevent environmental release and follow proper containment procedures during handling and use.

How to store sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate correctly?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate should be stored in a cool, dry place away from direct sunlight and moisture. Keep containers tightly sealed to prevent contamination and degradation. Store away from incompatible materials such as strong oxidizing agents. Maintain proper labeling and ensure storage areas are well-ventilated. Given its environmental classification, implement measures to prevent accidental spills into water systems.

What to do in case of contact with sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate?

Immediate action is required upon contact with sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate. For skin contact, wash thoroughly with soap and water for at least 15 minutes. If eye contact occurs, rinse immediately with plenty of water for 15 minutes and seek medical attention. If inhaled, move to fresh air. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing.

How to dispose of sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate properly?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate must be disposed of according to local and national environmental regulations. Due to its Aquatic Chronic 2 classification, it requires special handling to prevent environmental contamination. Contact licensed waste disposal companies for proper treatment. Do not discharge into drains, water systems, or soil. Package waste securely and label appropriately before collection by authorized waste management services.

How to transport sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transport must comply with ADR regulations for environmentally hazardous substances. Use appropriate packaging that meets UN specification requirements. Proper shipping documentation, labeling with GHS09 pictogram, and emergency information must accompany shipments. Ensure carriers are trained in handling Class 9 materials.

Is sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate subject to special regulations?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate is subject to REACH regulation for chemical registration and safety assessment. Under CLP regulation, it must be classified and labeled as Aquatic Chronic 2 with GHS09 pictogram. It is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with safety data sheet requirements and ensure proper risk management measures are implemented.

Where to buy sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate in Europe?

Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-9,10-dioxoanthracene-2-sulfonate is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides reliable supply across Europe with proper regulatory compliance and technical support. As a specialized chemical, it may require advance ordering and specific handling arrangements. Contact OYSI directly for availability, technical specifications, and regulatory documentation to ensure compliance with local requirements.

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Sodium 1-amino-4-[2-methyl-5-[(4-methylphenyl)sulfonylamino]anilino]-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.