2,6-ジメトキシナフタレン類 - ≥98% , CAS No.5486-55-5

CAS: 5486-55-5 Cat. No.: D133491 分子式: C₁₂H₁₂O₂ 分子量: 188.23 Beilstein Registry Number: 6(4)6566

GRADE & PURITY ≥98%

Synonyms

2,6-ジメトキシナフタレン, 99%｜DTXSID30203340｜MFCD00004063｜Naphthalene, 2,6-dimethoxy-｜2,6-Dimethoxy-Naphthalene｜SCEMBL443070｜2,6-Dimethoxy naphthalene｜EINECS 226-816-9｜NSC93947｜HMS1581F12

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

2,6-ジメトキシナフタレン, 99%｜DTXSID30203340｜MFCD00004063｜Naphthalene, 2,6-dimethoxy-｜2,6-Dimethoxy-Naphthalene｜SCEMBL443070｜2,6-Dimethoxy naphthalene｜EINECS 226-816-9｜NSC93947｜HMS1581F12

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

488185755

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185755

カノニカル・スマイル

COC1=CC2=C(C=C1)C=C(C=C2)OC

IUPAC Name

2,6-dimethoxynaphthalene

InChIKey

AHKDVDYNDXGFPP-UHFFFAOYSA-N

INCHI

1S/C12H12O2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3

異性体SMILES

COC1=CC2=C(C=C1)C=C(C=C2)OC

WGKドイツ

3

分子量

188.23

Beilstein

6(4)6566

Reaxy-Rn

1942311

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 融点（°C）: 152-154°C
• 分子量: 188.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.084 Da
• Monoisotopic Mass: 188.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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

よくある質問

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5486-55-5, the molecular formula is C12H12O2, and the molecular weight is 188.23 g/mol. InChIKey AHKDVDYNDXGFPP-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.