4-[(6-Acryloyloxy)hexyloxy]-4'-cyanobiphenyl - ≥98% , CAS No.89823-23-4

CAS: 89823-23-4 Cat. No.: A151308 Molecular Weight: 349.43 EC Number: 833-545-5

GRADE & PURITY ≥98%

Synonyms

RM0230 | 6-((4'-Cyano-[1,1'-biphenyl]-4-yl)oxy)hexyl acrylate | SY055547 | 4'-[(6-Acryloyloxy)hexyloxy]-4-biphenylcarbonitrile | Acrylic Acid 6-[(4'-Cyano-[1,1'-biphenyl]-4-yl)oxy]hexyl Ester | SCHEMBL103263 | 4-[(6-Acryloyloxy)hexyloxy]-4'-cyanobiphenyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

RM0230 | 6-((4'-Cyano-[1, 1'-biphenyl]-4-yl)oxy)hexyl acrylate | SY055547 | 4'-[(6-Acryloyloxy)hexyloxy]-4-biphenylcarbonitrile | Acrylic Acid 6-[(4'-Cyano-[1, 1'-biphenyl]-4-yl)oxy]hexyl Ester | SCHEMBL103263 | 4-[(6-Acryloyloxy)hexyloxy]-4'-cyanobiphenyl

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766397
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766397
• Canonical Smiles: C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• IUPAC Name: 6-[4-(4-cyanophenyl)phenoxy]hexyl prop-2-enoate
• InChIKey: IGHSOWSFSFGPAZ-UHFFFAOYSA-N
• INCHI: 1S/C22H23NO3/c1-2-22(24)26-16-6-4-3-5-15-25-21-13-11-20(12-14-21)19-9-7-18(17-23)8-10-19/h2,7-14H,1,3-6,15-16H2
• Isomeric SMILES: C=CC(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• Molecular Weight: 349.43
• Reaxy-Rn: 9427721
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9427721&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Acrylic acid esters Enoate esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenylcarbonitrile - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Acrylic acid ester - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Acetone
• Melt Point(°C): 71°C(lit.)
• Molecular Weight: 349.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 349.168 Da
• Monoisotopic Mass: 349.168 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 465.000
• 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