4-(3,4-Dichlorophenyl)-1-tetralone - ≥98%(HPLC) , CAS No.79560-19-3

CAS: 79560-19-3 Cat. No.: D154590 Summenformel: C₁₆H₁₂Cl₂O Molekulargewicht: 291.17 EG-Nummer: 616-703-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

Sertraline Tetralone | 4-(3,4-dichlorophenyl)-3,4-dihydro-1-napthalenone | FT-0616571 | AMY17780 | rac 4-(3',4'-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one | 4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one (Sertraline Tetralone Derivative) | 4-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Sertraline Tetralone | 4-(3,4-dichlorophenyl)-3,4-dihydro-1-napthalenone | FT-0616571 | AMY17780 | rac 4-(3',4'-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one | 4-(3,4-Dichlorophenyl)-3,4-dihydronaphthalen-1(2H)-one (Sertraline Tetralone Derivative) | 4-

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

488194545

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194545

Kanonisches Lächeln

C1CC(=O)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl

IUPAC Name

4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

InChIKey

JGMBHJNMQVKDMW-UHFFFAOYSA-N

INCHI

1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2

Isomere SMILES

C1CC(=O)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl

Molekulargewicht

291.17

Reaxy-Rn

4190412

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4190412&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Dichlorobenzenes Aryl alkyl ketones Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - 1,2-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Ketone - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Acetone
• Schmelzpunkt (°C): 105 °C
• Molekulargewicht: 291.200 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 290.027 Da
• Monoisotopic Mass: 290.027 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 344.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79560-19-3, the molecular formula is C16H12Cl2O, and the molecular weight is 291.17 g/mol. InChIKey JGMBHJNMQVKDMW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.