4,4'-Dihexyloxybiphenyl - ≥98% , CAS No.142450-58-6

CAS: 142450-58-6 Cat. No.: D155169 Formula: C₂₄H₃₄O₂ Peso molecolare: 354.53

GRADE & PURITY ≥98%

Synonyms

4,4'-Bis(hexyloxy)biphenyl | 4,4'-Dihexyloxybiphenyl, 98% | T70272 | MFCD00059438 | 4,4'-Dihexyloxybiphenyl | 4,4/'-DI-N-HEXYLOXYBIPHENYL | SCHEMBL14267492 | AKOS001584330 | A807909 | 4,4'-Bis(hexyloxy)-1,1'-biphenyl # | NPALUNJGWGOZQN-UHFFFAOYSA-N | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4,4'-Bis(hexyloxy)biphenyl | 4,4'-Dihexyloxybiphenyl, 98% | T70272 | MFCD00059438 | 4,4'-Dihexyloxybiphenyl | 4,4/'-DI-N-HEXYLOXYBIPHENYL | SCHEMBL14267492 | AKOS001584330 | A807909 | 4,4'-Bis(hexyloxy)-1,1'-biphenyl # | NPALUNJGWGOZQN-UHFFFAOYSA-N | DTXS

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488190657

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190657

Sorrisi canonici

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCC

IUPAC Name

1-hexoxy-4-(4-hexoxyphenyl)benzene

InChIKey

NPALUNJGWGOZQN-UHFFFAOYSA-N

INCHI

1S/C24H34O2/c1-3-5-7-9-19-25-23-15-11-21(12-16-23)22-13-17-24(18-14-22)26-20-10-8-6-4-2/h11-18H,3-10,19-20H2,1-2H3

Isomeri SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCC

Peso molecolare

354.53

Reaxy-Rn

6601839

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6601839&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): 128 °C
• Peso molecolare: 354.500 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 354.256 Da
• Monoisotopic Mass: 354.256 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 282.000
• 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