2-Hydroxy-5-methoxybenzaldehyde - ≥98% , CAS No.672-13-9

CAS: 672-13-9 Cat. No.: H113429 分子式: C₈H₈O₃ 分子量: 152.15 Beilstein Registry Number: 1100532 EC番号: 211-589-0

グレード＆純度 ≥98%

Synonyms

BRN 1100532 | AM20040993 | CL8287 | EN300-17188 | 5-Methoxysalicylaldehyde | 5-methoxy-salicylaldehyde | 6-Hydroxy-m-anisaldehyde | FT-0600619 | STL374089 | Z56899054 | 3-methoxy-6-hydroxybenzaldehyde | AKOS000112554 | NSC30116 | NSC-30116 | Z4S3JZC091 |

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

2-Hydroxy-5-methoxybenzaldehyde has acaricidal activity against Tyrophagus putrescentiae.

仕様

同義語

BRN 1100532 | AM20040993 | CL8287 | EN300-17188 | 5-Methoxysalicylaldehyde | 5-methoxy-salicylaldehyde | 6-Hydroxy-m-anisaldehyde | FT-0600619 | STL374089 | Z56899054 | 3-methoxy-6-hydroxybenzaldehyde | AKOS000112554 | NSC30116 | NSC-30116 | Z4S3JZC091 |

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488186934

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488186934

カノニカル・スマイル

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

IUPAC Name

2-hydroxy-5-methoxybenzaldehyde

InChIKey

FZHSPPYCNDYIKD-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3

異性体SMILES

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

WGKドイツ

3

RTECS

BZ2800000

分子量

152.15

Beilstein

1100532

Reaxy-Rn

1100532

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100532&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes 4-alkoxyphenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - 4-alkoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Benzoyl - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Ether - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

• 溶解度: Miscible with chloroform. Slightly miscible with water.
• 感度: Air sensitive.
• 融点（°C）: 14 °C
• 屈折率: 1.577-1.579
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 248°C
• 融点（°C）: 4°C
• 分子量: 152.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 672-13-9, the molecular formula is C8H8O3, and the molecular weight is 152.15 g/mol. InChIKey FZHSPPYCNDYIKD-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.