6′-Methoxy-2′-propiononaphthone - ≥98% , CAS No.2700-47-2

CAS: 2700-47-2 Cat. No.: M472375 Fórmula: CH₃OC₁₀H₆COC₂H₅ Peso molecular: 214.26 Número EC: 220-285-7

GRADE & PURITY ≥98%

Synonyms

IDI1_019557 | Reseril | 6'-Methoxy-2'-propiononaphthone | SCHEMBL7173547 | MSH38VG69W | SR-01000389295 | LWOTXBQKJLOAOZ-UHFFFAOYSA-N | EN300-21035 | EU-0066778 | 1-(6-methoxy-naphthalen-2-yl)-propan-1-one | 1-(6-methoxynaphthalen-2-yl)propan-1-one | 6-Met

Storage

Room temperature

Descripción general

Description

6′−Methoxy-2′−propiononaphthone is a building block useful in organic synthesis. Its density has been reported.

Specifications

Sinónimos

IDI1_019557 | Reseril | 6'-Methoxy-2'-propiononaphthone | SCHEMBL7173547 | MSH38VG69W | SR-01000389295 | LWOTXBQKJLOAOZ-UHFFFAOYSA-N | EN300-21035 | EU-0066778 | 1-(6-methoxy-naphthalen-2-yl)-propan-1-one | 1-(6-methoxynaphthalen-2-yl)propan-1-one | 6-Met

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488185188

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185188

Sonrisas canónicas

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

IUPAC Name

1-(6-methoxynaphthalen-2-yl)propan-1-one

InChIKey

LWOTXBQKJLOAOZ-UHFFFAOYSA-N

INCHI

1S/C14H14O2/c1-3-14(15)12-5-4-11-9-13(16-2)7-6-10(11)8-12/h4-9H,3H2,1-2H3

Isómeros SMILES

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

Peso molecular

214.26

Reaxy-Rn

2097976

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2097976&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de ebullición (°C): 212-215℃/14mmHg (lit.)
• Punto de fusión (°C): 110-112℃ (lit.)
• Peso molecular: 214.260 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 249.000
• 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