(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid

C25H25Cl2NO3

CAS79617-97-3
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
79617-97-3
EC Number
420-560-3
UN Number
3077
Index Number
612-243-00-5
PubChem CID
10479278

Physical-chemical properties

Molecular Formula
C25H25Cl2NO3
Molar Mass
458.40 g/mol
IUPAC Name
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid

Chemical Identifiers

InChI
InChI=1S/C17H17Cl2N.C8H8O3/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,8,10,12,17,20H,7,9H2,1H3;1-5,7,9H,(H,10,11)/t12-,17-;/m0./s1
InChI Key
PKXMFQSWZRRSRR-XHXSRVRCSA-N

Overview

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid (CAS 79617-97-3) is a chiral organic compound with dichlorophenyl and tetrahydronaphthalene structural components. This complex organic molecule, registered under EC number 420-560-3, represents a sophisticated pharmaceutical intermediate with a molecular weight of 458.4 g/mol. The compound features a unique stereochemical configuration with both carbon centers in the S-configuration, making it particularly valuable for applications requiring specific optical activity. Its molecular formula C25H25Cl2NO3 reveals the presence of chlorinated aromatic systems combined with a phenylacetic acid moiety, indicating potential bioactive properties. From a safety perspective, this substance requires careful handling due to its classification as Eye Dam. 1, indicating severe eye damage potential, alongside its environmental hazard classifications of Aquatic Acute 1 and Aquatic Chronic 1. The GHS05 and GHS09 pictograms emphasize both the corrosive nature and environmental dangers associated with this compound. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance. The compound finds primary applications in pharmaceutical research and development, particularly in the synthesis of centrally acting therapeutic agents. Its structural similarity to other bioactive molecules makes it valuable for medicinal chemistry applications. Additionally, it serves as a key intermediate in the production of specialized organic compounds for research purposes. Unlike simpler compounds such as 4-(4-hydroxy-3-methylphenyl)sulfanyl-2-methylphenol, this molecule's complexity allows for more sophisticated pharmaceutical applications. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, ensuring consistent availability for European research and manufacturing facilities requiring high-quality chemical intermediates.

Safety & Classification

Danger
Classification:

Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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:

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(1S-cis)-4-(3,4-Dichlorphenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalinammonium-2-hydroxy-2-phenylacetat
Marine PollutantNo

Frequently Asked Questions

What is (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid?

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid is a complex organic compound with the molecular formula C25H25Cl2NO3 and CAS number 79617-97-3. This substance has a molecular weight of 458.4 g/mol and contains dichlorophenyl and tetrahydronaphthalene structural components. It is classified as a dangerous substance with significant eye damage potential and aquatic toxicity, requiring careful handling and storage protocols in industrial applications.

What are the physicochemical properties of (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid?

This compound exhibits specific physicochemical characteristics determined by its complex molecular structure containing chlorinated aromatic rings and amine functionality. With a molecular weight of 458.4 g/mol, it demonstrates moderate molecular complexity. The presence of dichlorophenyl groups and the tetrahydronaphthalene backbone influence its solubility profile and stability. The mandelic acid component contributes to its overall polarity. Detailed physical parameters such as melting point, boiling point, and exact solubility data should be confirmed through technical documentation.

What is (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid used for?

This compound serves as an important intermediate in pharmaceutical and fine chemical synthesis applications. Its complex stereochemistry and functional groups make it valuable for advanced organic synthesis processes. The specific structural features, including the chiral centers and dichlorophenyl moiety, suggest potential use in the development of bioactive compounds. Industrial applications typically involve controlled synthesis environments due to its hazardous classification. Specific end-use applications should be confirmed with technical specialists based on required specifications.

How to safely handle (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid?

Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Eye Dam. 1 classification. Work must be conducted in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Avoid direct skin and eye contact at all costs. Use appropriate tools to prevent splashing or dust generation. Emergency eyewash stations and safety showers must be readily accessible. Personnel should be trained in proper handling procedures and emergency response protocols.

How to properly store (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid?

Proper storage requires a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Containers must be tightly sealed and properly labeled according to GHS requirements, displaying GHS05 and GHS09 pictograms with 'Danger' signal word. Storage areas should be equipped with appropriate spill containment measures and emergency equipment. Due to its aquatic toxicity classification, prevent environmental release through proper containment. Regular inspection of storage containers and conditions ensures continued product integrity and safety compliance.

What to do in case of contact with (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid?

Immediate eye irrigation with clean water for at least 15 minutes is critical due to the Eye Dam. 1 classification, followed by urgent medical attention. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention. Keep safety data sheet readily available for emergency responders.

How to properly dispose of (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid?

Disposal must comply with local, national, and international environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. The substance requires treatment as hazardous waste and must never be discharged into sewers, waterways, or soil. Contact licensed hazardous waste disposal contractors for proper treatment and destruction. Packaging materials contaminated with this substance also require hazardous waste classification. Maintain detailed disposal records and certificates of destruction for regulatory compliance and environmental protection.

How to transport (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid?

Transportation falls under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III classification, requiring appropriate dangerous goods documentation and packaging. Packages must display proper hazard labels and markings according to international dangerous goods regulations. Drivers and handlers require ADR training certification. Transport vehicles must carry appropriate emergency equipment and spill response materials. Shipments require proper documentation including transport emergency cards and safety data sheets for emergency responders.

Is (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid subject to specific regulations?

This substance is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification standards. It is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets compliant with current regulations. The Eye Dam. 1 and aquatic toxicity classifications trigger specific labeling, packaging, and handling requirements. Users must ensure compliance with workplace safety regulations and environmental protection standards. Regular monitoring of regulatory updates ensures continued compliance.

Where to purchase (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional chemical supply services across European markets. As an established chemical distributor, OYSI provides comprehensive technical support, regulatory compliance documentation, and quality assurance for industrial customers. The company maintains appropriate handling and storage facilities for hazardous materials, ensuring product integrity and regulatory compliance. Contact OYSI directly for availability, specifications, and technical support to meet your specific application requirements.

Services for (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid

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(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid 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.