9,10-Dibutoxyanthracene - ≥95% , CAS No.76275-14-4

CAS: 76275-14-4 Cat. No.: D304573 Summenformel: C₂₂H₂₆O₂ Molekulargewicht: 322.44 EG-Nummer: 642-925-8

GRADE & PURITY ≥95%

Synonyms

MFCD22495163 | AKOS016004436 | 9,10-dibutoxyanthracene | Anthracene, 9,10-dibutoxy- | BDA27514 | AMY8612 | SCHEMBL442080 | FT-0699474 | C22H26O2 | DTXSID20621211 | AS-10114

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

MFCD22495163 | AKOS016004436 | 9,10-dibutoxyanthracene | Anthracene, 9,10-dibutoxy- | BDA27514 | AMY8612 | SCHEMBL442080 | FT-0699474 | C22H26O2 | DTXSID20621211 | AS-10114

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488200016

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200016

Kanonisches Lächeln

CCCCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCCCC

IUPAC Name

9,10-dibutoxyanthracene

InChIKey

KSMGAOMUPSQGTB-UHFFFAOYSA-N

INCHI

1S/C22H26O2/c1-3-5-15-23-21-17-11-7-9-13-19(17)22(24-16-6-4-2)20-14-10-8-12-18(20)21/h7-14H,3-6,15-16H2,1-2H3

Isomere SMILES

CCCCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCCCC

Molekulargewicht

322.44

Reaxy-Rn

12366013

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12366013&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Phenol ethers Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 478.8°C
• Molekulargewicht: 322.400 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 322.193 Da
• Monoisotopic Mass: 322.193 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 298.000
• 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