2-Acetoxybenzoic anhydride - ≥95% , CAS No.1466-82-6

CAS: 1466-82-6 Cat. No.: A190994 Formula: C₁₈H₁₄O₇ Peso molecolare: 342.3 Numero EC: 215-987-5

GRADE & PURITY ≥95%

Synonyms

2-Acetoxybenzoic anhydride | Benzoic acid, 2-(acetyloxy)-, anhydride | Acetylsalicylic anhydride | Pircan | Aspirin Impurity F | Aspirin anhydride | (2-acetyloxybenzoyl) 2-acetyloxybenzoate | Vigal | Contraflu | Salicylic anhydride, diacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

2-Acetoxybenzoic anhydride | Benzoic acid, 2-(acetyloxy)-, anhydride | Acetylsalicylic anhydride | Pircan | Aspirin Impurity F | Aspirin anhydride | (2-acetyloxybenzoyl) 2-acetyloxybenzoate | Vigal | Contraflu | Salicylic anhydride, diacetate

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504752636

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752636

Sorrisi canonici

CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C

IUPAC Name

(2-acetyloxybenzoyl) 2-acetyloxybenzoate

InChIKey

OAWXYINGQXLWOE-UHFFFAOYSA-N

INCHI

1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3

Isomeri SMILES

CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C2=CC=CC=C2OC(=O)C

Peso molecolare

342.3

Reaxy-Rn

2015320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2015320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Acylsalicylic acids and derivatives Phenol esters Benzyloxycarbonyls Phenoxy compounds Benzoyl derivatives Carboxylic acid anhydrides Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Acylsalicylic acid or derivatives - Phenol ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Carboxylic acid anhydride - Carboxylic acid ester - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 342.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 342.074 Da
• Monoisotopic Mass: 342.074 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 482.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1466-82-6, the molecular formula is C18H14O7, and the molecular weight is 342.3 g/mol. InChIKey OAWXYINGQXLWOE-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.