Butane-1,3-diyldibenzene - ≥97% , CAS No.1520-44-1

CAS: 1520-44-1 Cat. No.: B587376 Peso molecular: 210.31 Número EC: ‘216-186-3

GRADE & PURITY ≥97%

Synonyms

PDINXYLAVFUHSA-UHFFFAOYSA-N | SY073163 | 1,3-DIPHENYLBUTANE | DS-19370 | AMY5921 | butane-1,3-diyldibenzene | Benzene, 1,1'-(1-methyl-1,3-propanediyl)bis-, (R)- | MFCD00506195 | BAA52044 | Butane, 1,3-diphenyl-, (+) | 1,1-(1-methyl-1,3-propanediyl)bis-ben

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

PDINXYLAVFUHSA-UHFFFAOYSA-N | SY073163 | 1, 3-DIPHENYLBUTANE | DS-19370 | AMY5921 | butane-1, 3-diyldibenzene | Benzene, 1, 1'-(1-methyl-1, 3-propanediyl)bis-, (R)- | MFCD00506195 | BAA52044 | Butane, 1, 3-diphenyl-, (+) | 1, 1-(1-methyl-1, 3-propanediyl)bis-ben

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504752643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752643
• Sonrisas canónicas: CC(CCC1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: 4-phenylbutan-2-ylbenzene
• InChIKey: PDINXYLAVFUHSA-UHFFFAOYSA-N
• INCHI: 1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
• Isómeros SMILES: CC(CCC1=CC=CC=C1)C2=CC=CC=C2
• Peso molecular: 210.31
• Reaxy-Rn: 2045266
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045266&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Linear 1,3-diarylpropanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Linear 1,3-diarylpropanoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear 1,3-diarylpropanoids
• Alternative Parents: Benzene and substituted derivatives Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Linear 1,3-diarylpropanoid - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
• 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

Propiedades químicas y físicas

• Peso molecular: 210.310 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 210.141 Da
• Monoisotopic Mass: 210.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1