2,6-Diacetoxynaphthalene - ≥98% , CAS No.22426-47-7

CAS: 22426-47-7 Cat. No.: D405567 Formula: C₁₄H₁₂O₄ Peso molecolare: 244.25

GRADE & PURITY ≥98%

Synonyms

FT-0638232 | Naphthalene-2,6-diyl diacetate | 6-(acetyloxy)naphthalen-2-yl acetate | 6-(Acetyloxy)-2-naphthyl acetate # | Naphthalene-2,6-diyldiacetate | DTXSID10344189 | 2,6-Diacetoxylnaphthalene | 2,6-Diacetoxyl naphthalene | 2,6-Naphthalenediol diaceta

Storage

Room temperature

Specifications

Sinonimi

FT-0638232 | Naphthalene-2,6-diyl diacetate | 6-(acetyloxy)naphthalen-2-yl acetate | 6-(Acetyloxy)-2-naphthyl acetate # | Naphthalene-2,6-diyldiacetate | DTXSID10344189 | 2,6-Diacetoxylnaphthalene | 2,6-Diacetoxyl naphthalene | 2,6-Naphthalenediol diaceta

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488190570

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190570

Sorrisi canonici

CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)OC(=O)C

IUPAC Name

(6-acetyloxynaphthalen-2-yl) acetate

InChIKey

JTUIDPCUTRXCPW-UHFFFAOYSA-N

INCHI

1S/C14H12O4/c1-9(15)17-13-5-3-12-8-14(18-10(2)16)6-4-11(12)7-13/h3-8H,1-2H3

Isomeri SMILES

CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)OC(=O)C

Peso molecolare

244.25

Reaxy-Rn

2054287

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054287&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Punto di fusione (°C): 177 °C
• Peso molecolare: 244.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.074 Da
• Monoisotopic Mass: 244.074 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 294.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 22426-47-7, the molecular formula is C14H12O4, and the molecular weight is 244.25 g/mol. InChIKey JTUIDPCUTRXCPW-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.