2-Methoxy-1-naphthaldehyde - ≥99% , CAS No.5392-12-1

CAS: 5392-12-1 Cat. No.: M137264 分子式: C₁₂H₁₀O₂ 分子量: 186.21 Beilstein Registry Number: 8(4)1161 EC番号: 226-392-5

グレード＆純度 ≥99%

Synonyms

Z53833408 | NSC 3256 | NSC3256 | NSC-3256 | 1-Naphthalenecarboxaldehyde, 2-methoxy- | M1040 | MFCD00014498 | 2-methoxynaphthaldehyde | A18874 | P-Anisyldithiophosphonic anhydride | BDBM50013800 | NSC28471 | NSC-28471 | AKOS000268613 | NSC 28471 | STL03303

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

Z53833408 | NSC 3256 | NSC3256 | NSC-3256 | 1-Naphthalenecarboxaldehyde, 2-methoxy- | M1040 | MFCD00014498 | 2-methoxynaphthaldehyde | A18874 | P-Anisyldithiophosphonic anhydride | BDBM50013800 | NSC28471 | NSC-28471 | AKOS000268613 | NSC 28471 | STL03303

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

508808460

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508808460

カノニカル・スマイル

COC1=C(C2=CC=CC=C2C=C1)C=O

IUPAC Name

2-methoxynaphthalene-1-carbaldehyde

InChIKey

YIQGLTKAOHRZOL-UHFFFAOYSA-N

INCHI

1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3

異性体SMILES

COC1=C(C2=CC=CC=C2C=C1)C=O

分子量

186.21

Beilstein

8(4)1161

Reaxy-Rn

1868308

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868308&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 Aryl-aldehydes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Aryl-aldehyde - Alkyl aryl ether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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

作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 沸点（°C）: 205 °C/18 mmHg
• 融点（°C）: 84 °C
• 分子量: 186.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068 Da
• Monoisotopic Mass: 186.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 202.000
• 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