6,7-dichlorotetralin-1-one - ≥97% , CAS No.25095-57-2

CAS: 25095-57-2 Cat. No.: D633138 Summenformel: C₁₀H₈OCl₂ Molekulargewicht: 215.08 PubChem CID: 308604

GRADE & PURITY ≥97%

Synonyms

6,7-Dichloro-3,4-dihydro-1[2H]naphthalenone | 6,7-dichloro-1,2,3,4-tetrahydro-1-oxonaphthalene | 6,7-Dichlorotetralin-1-one | 6,7-DICHLORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE | AKOS027381679 | AS-66866 | MB05371 | AM9255 | AC-31617 | SCHEMBL8639793 | 6,7-D

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

6,7-Dichloro-3,4-dihydro-1[2H]naphthalenone | 6,7-dichloro-1,2,3,4-tetrahydro-1-oxonaphthalene | 6,7-Dichlorotetralin-1-one | 6,7-DICHLORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE | AKOS027381679 | AS-66866 | MB05371 | AM9255 | AC-31617 | SCHEMBL8639793 | 6,7-D

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528762091
• Kanonisches Lächeln: C1CC2=CC(=C(C=C2C(=O)C1)Cl)Cl
• IUPAC Name: 6,7-dichloro-3,4-dihydro-2H-naphthalen-1-one
• InChIKey: HFNZADNOCYMZPW-UHFFFAOYSA-N
• INCHI: 1S/C10H8Cl2O/c11-8-4-6-2-1-3-10(13)7(6)5-9(8)12/h4-5H,1-3H2
• Isomere SMILES: C1CC2=CC(=C(C=C2C(=O)C1)Cl)Cl
• Alternative CAS-Nummer: 25095-57-2
• PubChem CID: 308604
• NSC-Nummer: 210434
• Molekulargewicht: 215.08

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: Aryl alkyl ketones Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - Aryl halide - Aryl chloride - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - 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

• Molekulargewicht: 215.070 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 213.995 Da
• Monoisotopic Mass: 213.995 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 217.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1