4-Octadecyloxybiphenyl - ≥98% , CAS No.376609-78-8

CAS: 376609-78-8 Cat. No.: O159991 Formula: C₃₀H₄₆O Peso molecolare: 422.7

GRADE & PURITY ≥98%

Synonyms

SCHEMBL17850556 | B1924 | Biphenyl-4-yl Octadecyl Ether | D88875 | 4-n-Octadecyloxybiphenyl | 4-Octadecyloxybiphenyl | MFCD01321145 | 4-(OCTADECYLOXY)-1,1'-BIPHENYL | 1-octadecoxy-4-phenylbenzene | Biphenyl-4-yl Stearyl Ether | 4-Stearyloxybiphenyl | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL17850556 | B1924 | Biphenyl-4-yl Octadecyl Ether | D88875 | 4-n-Octadecyloxybiphenyl | 4-Octadecyloxybiphenyl | MFCD01321145 | 4-(OCTADECYLOXY)-1,1'-BIPHENYL | 1-octadecoxy-4-phenylbenzene | Biphenyl-4-yl Stearyl Ether | 4-Stearyloxybiphenyl | DTXS

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504769319

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769319

Sorrisi canonici

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

IUPAC Name

1-octadecoxy-4-phenylbenzene

InChIKey

WJPFTOGDAJEWPP-UHFFFAOYSA-N

INCHI

1S/C30H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-31-30-25-23-29(24-26-30)28-21-18-17-19-22-28/h17-19,21-26H,2-16,20,27H2,1H3

Isomeri SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

Peso molecolare

422.7

Reaxy-Rn

4323065

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4323065&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 92 °C
• Peso molecolare: 422.700 g/mol
• XLogP3: 12.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 19
• Exact Mass: 422.355 Da
• Monoisotopic Mass: 422.355 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 365.000
• 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