4-Acetoxybenzoic acid - ≥99% , CAS No.2345-34-8

CAS: 2345-34-8 Cat. No.: A107224 分子式: C₉H₈O₄ 分子量: 180.16 Beilstein Registry Number: 1871997 EC番号: 219-066-9

グレード＆純度 ≥99%

Synonyms

4-ACETOXYBENZOIC ACID | 4-Acetoxy-benzoic acid | MFCD00002540 | NSC11340 | NSC-11340 | W-107402 | 4-Carboxyphenyl acetate | p-Acetyloxybenzoic acid | 4-(Acetyloxy)benzoic acid # | 4-Acetoxy benzoic acid | Q27159246 | A0885 | 4-Acetoxybenzoicacid | 4-acety

Storage

Room temperature

Shipped In

Normal

概要

Kinetics of the bulk polymerization of 4-acetoxybenzoic acid has been investigated. Mono and submono layers of 4-acetoxybenzoic acid chemisorbed on oxidized aluminum has been studied by IR-absorption spectroscopy
4-Acetoxybenzoic acid has been used in the preparation of poly(4-hydroxybenzoate).

仕様

同義語

4-ACETOXYBENZOIC ACID | 4-Acetoxy-benzoic acid | MFCD00002540 | NSC11340 | NSC-11340 | W-107402 | 4-Carboxyphenyl acetate | p-Acetyloxybenzoic acid | 4-(Acetyloxy)benzoic acid # | 4-Acetoxy benzoic acid | Q27159246 | A0885 | 4-Acetoxybenzoicacid | 4-acety

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488182305

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182305

カノニカル・スマイル

CC(=O)OC1=CC=C(C=C1)C(=O)O

IUPAC Name

4-acetyloxybenzoic acid

InChIKey

GDBUZIKSJGRBJP-UHFFFAOYSA-N

INCHI

1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)

異性体SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)O

WGKドイツ

3

分子量

180.16

Beilstein

1871997

Reaxy-Rn

1871997

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1871997&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Benzoic acids Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: acetate ester - benzoic acids

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

• 融点（°C）: 190-194°C
• 分子量: 180.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.042 Da
• Monoisotopic Mass: 180.042 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 204.000
• 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 ≥99% 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 2345-34-8, the molecular formula is C9H8O4, and the molecular weight is 180.16 g/mol. InChIKey GDBUZIKSJGRBJP-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.