2-Phenoxybenzoic acid - ≥98% , CAS No.2243-42-7

CAS: 2243-42-7 Cat. No.: P168745 分子式: C₁₃H₁₀O₃ 分子量: 214.22 Beilstein Registry Number: 978452 EC番号: 218-811-5 PubChem CID: 75237

GRADE & PURITY ≥98%

Synonyms

2-(phenoxy)benzoic acid | F0347-1640 | Nitric acid, nickel(2+) salt | EU-0067008 | HMS1607P11 | 902C93KXK0 | 2-Phenoxybenzoic acid, 98% | InChI=1/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15) | 2-phenoxyphenylcarboxylic acid | AM8

Storage

Room temperature

Shipped In

Normal

概要

2-Phenoxybenzoic acid was used as an internal standard in the quantification of pyrethroid metabolites

Specifications

同義語

2-(phenoxy)benzoic acid | F0347-1640 | Nitric acid, nickel(2+) salt | EU-0067008 | HMS1607P11 | 902C93KXK0 | 2-Phenoxybenzoic acid, 98% | InChI=1/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15) | 2-phenoxyphenylcarboxylic acid | AM8

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488185064
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488185064
• カノニカル・スマイル: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
• IUPAC Name: 2-phenoxybenzoic acid
• InChIKey: PKRSYEPBQPFNRB-UHFFFAOYSA-N
• INCHI: 1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
• 異性体SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O
• WGKドイツ: 3
• PubChem CID: 75237
• 分子量: 214.22
• Beilstein: 978452

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: phenoxybenzoic acid

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

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作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 355 °C
• 融点（°C）: 110-115℃
• 分子量: 214.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.063 Da
• Monoisotopic Mass: 214.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 233.000
• 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 2243-42-7, the molecular formula is C13H10O3, and the molecular weight is 214.22 g/mol. InChIKey PKRSYEPBQPFNRB-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.