2-Methoxytropone - ≥98% , CAS No.2161-40-2

CAS: 2161-40-2 Cat. No.: M158870 Formule: C₈H₈O₂ Poids moléculaire: 136.15

QUALITÉ & PURETÉ ≥98%

Synonyms

2-Methoxytropolone | 4-08-00-00161 (Beilstein Handbook Reference) | 2-Methoxy-2,4,6-cycloheptatrien-1-one | 2-C-Methoxytropone | DTXSID90175993 | 2-Methoxytropone | 2-methoxycyclohepta-2,4,6-trienone | CAA16140 | EN300-7471067 | .alpha.-Tropolone methyl e

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

2-Methoxytropolone | 4-08-00-00161 (Beilstein Handbook Reference) | 2-Methoxy-2,4,6-cycloheptatrien-1-one | 2-C-Methoxytropone | DTXSID90175993 | 2-Methoxytropone | 2-methoxycyclohepta-2,4,6-trienone | CAA16140 | EN300-7471067 | .alpha.-Tropolone methyl e

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

COC1=CC=CC=CC1=O

IUPAC Name

2-methoxycyclohepta-2,4,6-trien-1-one

InChIKey

IQYJSKNHDZZDGA-UHFFFAOYSA-N

INCHI

1S/C8H8O2/c1-10-8-6-4-2-3-5-7(8)9/h2-6H,1H3

Isomères SMILES

COC1=CC=CC=CC1=O

RTECS

GU4606000

Poids moléculaire

136.15

Reaxy-Rn

2041321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives
    • Classe Tropones

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Classe: Tropones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tropones
• Alternative Parents: Alkyl aryl ethers Cyclic ketones Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tropone - Alkyl aryl ether - Cyclic ketone - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Hygroscopic
• Point d'éclair (°C): 141 °C
• Point d'ébullition (°C): 175°C/0.5mmHg(lit.)
• Point de fusion (°C): 132 °C
• Poids moléculaire: 136.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 221.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2161-40-2, the molecular formula is C8H8O2, and the molecular weight is 136.15 g/mol. InChIKey IQYJSKNHDZZDGA-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.