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

CAS: 4133-34-0 Cat. No.: M119742 Formula: C₁₁H₁₂O₂ Peso molecolare: 176.22 Beilstein Registry Number: 1953200 Numero EC: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504755211

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Heat sensitive
• Indice di rifrazione: 1.5595
• Punto di infiammabilità (°F): >235.4 °F
• Punto di ebollizione (°C): 124-126°C/1.5mmHg
• Punto di fusione (°C): 27 °C
• Peso molecolare: 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