7-Methoxy-2-tetralone - ≥98% , CAS No.4133-34-0

CAS: 4133-34-0 Cat. No.: M119742 Summenformel: C₁₁H₁₂O₂ Molekulargewicht: 176.22 Beilstein Registry Number: 1953200 EG-Nummer: 223-954-1

GRADE & PURITY ≥98%

Synonyms

7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one | STL555564 | SY004719 | Kriptofix 222 | 2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy- | BBL101767 | FS-2173 | 7-Methoxy-2-tetralone, 97% | AB00149 | EN300-96503 | UNII-WF978B639S | 7-Methoxy-2-tetralone | 7-METH

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one | STL555564 | SY004719 | Kriptofix 222 | 2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy- | BBL101767 | FS-2173 | 7-Methoxy-2-tetralone, 97% | AB00149 | EN300-96503 | UNII-WF978B639S | 7-Methoxy-2-tetralone | 7-METH

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755211

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755211

Kanonisches Lächeln

COC1=CC2=C(CCC(=O)C2)C=C1

IUPAC Name

7-methoxy-3,4-dihydro-1H-naphthalen-2-one

InChIKey

XEAPZXNZOJGVCZ-UHFFFAOYSA-N

INCHI

1S/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3

Isomere SMILES

COC1=CC2=C(CCC(=O)C2)C=C1

WGK Deutschland

3

Molekulargewicht

176.22

Beilstein

1953200

Reaxy-Rn

1953198

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1953198&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: Anisoles Alkyl aryl ethers Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Anisole - Alkyl aryl ether - Cyclic ketone - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

• Empfindlichkeit: Heat sensitive
• Brechungsindex: 1.5595
• Flammpunkt (°F): >235.4 °F
• Siedepunkt (°C): 124-126°C/1.5mmHg
• Schmelzpunkt (°C): 27 °C
• Molekulargewicht: 176.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.084 Da
• Monoisotopic Mass: 176.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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