(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid
C25H25Cl2NO3
Consulting 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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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 tetrahydronaphthalene derivative with selective pharmaceutical properties and dichlorophenyl substitution patterns. This complex organic compound represents a sophisticated pharmaceutical intermediate featuring a tetrahydronaphthalene core structure with specific stereochemical configuration. The molecule contains two distinct components: the primary amine derivative with dichlorophenyl substitution and the mandelic acid derivative, forming a salt complex with a molecular weight of 458.4 g/mol and molecular formula C25H25Cl2NO3. The compound's stereochemistry is precisely defined with (1S,4S) configuration, indicating its potential significance in pharmaceutical applications where chirality plays a crucial role in biological activity. From a safety perspective, this substance presents specific handling considerations. Classified under GHS pictograms GHS05 and GHS09, it poses serious eye damage risks (Eye Dam. 1) and significant aquatic toxicity concerns (Aquatic Acute 1; Aquatic Chronic 1). The "Danger" signal word emphasizes the need for appropriate personal protective equipment and environmental precautions during handling and storage. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance requiring specialized transport protocols. The compound finds primary applications in pharmaceutical research and development, particularly in the synthesis of complex therapeutic agents where its specific stereochemical properties are essential. Unlike simpler compounds such as 5-chloro-2-(4-chlorophenoxy)phenol, this molecule's sophisticated structure makes it valuable for advanced medicinal chemistry applications. Additionally, it serves in specialized chemical synthesis processes requiring precise molecular architecture. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, ensuring consistent availability for European research institutions and pharmaceutical manufacturers requiring high-purity chemical compounds.
Safety & Classification
Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| 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 Pollutant | No |
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 elements. It is classified as hazardous with eye damage and aquatic toxicity properties, requiring careful handling and storage procedures.
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?
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid is a solid organic compound with a molecular weight of 458.4 g/mol. The presence of both hydrophilic (carboxylic acid) and hydrophobic (aromatic rings, chlorinated phenyl) groups suggests moderate solubility characteristics. The compound contains multiple aromatic systems and halogen substituents, which influence its physical stability and chemical reactivity under various conditions.
What is (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid used for?
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid is primarily used in pharmaceutical research and chemical synthesis applications. Its complex stereochemistry and functional groups make it valuable for medicinal chemistry studies and as an intermediate in drug development processes. The compound may also serve as a reference standard or analytical reagent in specialized laboratory applications requiring high purity chemical substances.
How to handle (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid safely?
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid requires strict safety measures due to its Eye Dam. 1 classification. Always wear chemical-resistant gloves, safety goggles, and protective clothing when handling. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct contact with skin and eyes. Have eyewash stations readily available and ensure proper training on emergency procedures before handling this hazardous substance.
How to store (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid correctly?
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from light and moisture to prevent degradation. Due to its aquatic toxicity classification, ensure secondary containment to prevent environmental release. Store away from heat sources and oxidizing agents, and maintain proper inventory records for hazardous substance tracking.
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 medical attention is required for contact with (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid due to its Eye Dam. 1 classification. For eye contact, flush immediately with large amounts of water for at least 15 minutes and seek emergency medical care. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If inhaled, move to fresh air immediately. Do not induce vomiting if ingested and contact poison control.
How to dispose of (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid appropriately?
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid must be disposed of through licensed hazardous waste contractors due to its environmental toxicity classification. The substance cannot be discharged to sewers or surface waters given its Aquatic Acute 1 and Chronic 1 classifications. Follow local and national hazardous waste regulations, maintain proper documentation for waste tracking, and use approved containers for collection and transport to authorized treatment facilities.
How to transport (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 classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. The substance requires environmental protection measures during transport due to its aquatic toxicity classification.
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?
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid is subject to REACH registration requirements and CLP classification regulations in Europe. It is not currently listed as a SVHC (Substance of Very High Concern). The substance must be classified and labeled according to GHS05 and GHS09 pictograms with 'Danger' signal word. Users must maintain safety data sheets and comply with occupational exposure limits and environmental protection requirements under relevant EU legislation.
Where to buy (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid in Europe?
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;2-hydroxy-2-phenylacetic acid is available through OYSI, a specialized European distributor of high-quality chemical products. OYSI provides comprehensive technical support, proper documentation including safety data sheets, and ensures compliance with European chemical regulations. As an established distributor, OYSI maintains appropriate storage facilities and transportation capabilities for hazardous substances, ensuring safe delivery throughout Europe while meeting all regulatory requirements for this specialized chemical compound.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.