4'-Cyano-4-hexyloxybiphenyl - ≥98%(HPLC) , CAS No.41424-11-7

CAS: 41424-11-7 Cat. No.: C153933 Fórmula: C₁₉H₂₁NO Peso molecular: 279.38 Número CE: 255-358-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS004116910 | BRN 2216640 | 4 inverted exclamation mark -(Hexyloxy)-[1,1 inverted exclamation mark -biphenyl]-4-carbonitrile | 4-(4-hexoxyphenyl)benzonitrile | SB66936 | [1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)- | SCHEMBL2955126 | DTXSID6068307 | W

Storage

Room temperature

Shipped In

Normal

Visão geral

Also known as 6OCBs,these liquid crystals (LCs) are responsive to small changes in temperature, shear, electric (or magnetic) fields, and the structure of solid surfaces with which they are in contact.In LCs exhibiting smectic phases, such as these, the molecules show a degree of translational order and tend to align themselves in layers.
Used to synthesize pH responsive block copolymers,binary mixtures.

Specifications

Sinónimos

AKOS004116910 | BRN 2216640 | 4 inverted exclamation mark -(Hexyloxy)-[1,1 inverted exclamation mark -biphenyl]-4-carbonitrile | 4-(4-hexoxyphenyl)benzonitrile | SB66936 | [1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)- | SCHEMBL2955126 | DTXSID6068307 | W

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504757529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757529
• Sorrisos canónicos: CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• IUPAC Name: 4-(4-hexoxyphenyl)benzonitrile
• InChIKey: YUYXUPYNSOFWFV-UHFFFAOYSA-N
• INCHI: 1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3
• SMILES isoméricas: CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• RTECS: DV1764200
• Peso molecular: 279.38
• Reaxy-Rn: 2216640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216640&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: Biphenylcarbonitriles
• Alternative Parents: Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenylcarbonitrile - Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Toluene
• Ponto de fusão (°C): 58°C(lit.)
• Peso molecular: 279.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 279.162 Da
• Monoisotopic Mass: 279.162 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 316.000
• 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