4,4'-Diacetoxybiphenyl - ≥99% , CAS No.32604-29-8

CAS: 32604-29-8 Cat. No.: D405579 Summenformel: C₁₆H₁₄O₄ Molekulargewicht: 270.28

GRADE & PURITY ≥99%

Synonyms

4,4'-Biphenyldiyl diacetate | EN300-21616 | [1,1 inverted exclamation marka-Biphenyl]-4,4 inverted exclamation marka-diol, 4,4 inverted exclamation marka-diacetate | BRD-K94901703-001-01-9 | Erie Yellow R | Diammonio(ethyl)(4-((4-(ethyl(3-sulphonatobenzyl

Storage

Room temperature

Specifications

Synonyme

4,4'-Biphenyldiyl diacetate | EN300-21616 | [1,1 inverted exclamation marka-Biphenyl]-4,4 inverted exclamation marka-diol, 4,4 inverted exclamation marka-diacetate | BRD-K94901703-001-01-9 | Erie Yellow R | Diammonio(ethyl)(4-((4-(ethyl(3-sulphonatobenzyl

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488190655

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190655

Kanonisches Lächeln

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

IUPAC Name

[4-(4-acetyloxyphenyl)phenyl] acetate

InChIKey

RQMBBMQDXFZFCC-UHFFFAOYSA-N

INCHI

1S/C16H14O4/c1-11(17)19-15-7-3-13(4-8-15)14-5-9-16(10-6-14)20-12(2)18/h3-10H,1-2H3

Isomere SMILES

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

Molekulargewicht

270.28

Reaxy-Rn

2055841

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenol esters Phenoxy compounds Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenol ester - Phenoxy compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Acetone
• Schmelzpunkt (°C): 164 °C
• Molekulargewicht: 270.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 302.000
• 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