Phenyl propargyl ether - ≥97% , CAS No.13610-02-1

CAS: 13610-02-1 Cat. No.: P113824 分子式: C₉H₈O 分子量: 132.16 Beilstein Registry Number: 2040910 EC番号: 237-095-5

GRADE & PURITY ≥97%

Synonyms

Ether, phenyl 2-propynyl | Phenyl propargyl ether | phenyl-propargylether | phenyl prop-2-yn-1-yl ether | 3,5-Dimethoxy-4-hydroxytoluene | prop-2-ynyloxybenzene | Propargyl phenyl ether | 4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- | Phenyl propargyl ether, te

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Ether, phenyl 2-propynyl | Phenyl propargyl ether | phenyl-propargylether | phenyl prop-2-yn-1-yl ether | 3,5-Dimethoxy-4-hydroxytoluene | prop-2-ynyloxybenzene | Propargyl phenyl ether | 4(3H)-Pyrimidinone,6-hydroxy-2-phenyl- | Phenyl propargyl ether, te

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

488186191

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488186191

カノニカル・スマイル

C#CCOC1=CC=CC=C1

IUPAC Name

prop-2-ynoxybenzene

InChIKey

AIQRJSXKXVZCJO-UHFFFAOYSA-N

INCHI

1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2

異性体SMILES

C#CCOC1=CC=CC=C1

WGKドイツ

3

分子量

132.16

Beilstein

2040910

Reaxy-Rn

2040910

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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,Heat Sensitive
• 屈折率: 1.533
• 引火点（°F）: 76 °C
• 引火点（°C）: 76°C
• 沸点（°C）: 89-90°C
• 分子量: 132.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.058 Da
• Monoisotopic Mass: 132.058 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 13610-02-1, the molecular formula is C9H8O, and the molecular weight is 132.16 g/mol. InChIKey AIQRJSXKXVZCJO-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.