1,3,5-Triisopropylbenzene - ≥95% , CAS No.717-74-8

CAS: 717-74-8 Cat. No.: T106622 Peso molecular: 204.35 Beilstein Registry Number: 1862750 Número EC: 211-941-3 PubChem CID: 12860

GRADE & PURITY ≥95%

Synonyms

DTXSID4041232 | Benzene, 1,3,5-triisopropyl- | 1,3,5-tri(propan-2-yl)benzene | 2,4,6-Triisopropylbenzene | 1,3,5-tris(propan-2-yl)benzene | 1,3,5-TRIISOPROPYLBENZENE | MFCD00008890 | 1,3,5-tris(1-methylethyl)benzene | Benzene, 1,3,5-tris(1-methylethyl)- |

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Usually used as swelling agent during the synthesis of mesoporous silicas with two-dimensional hexagonal pores,also used as micelle expander in the synthesis of highly ordered mesoporous SBA-15 silica and magnetic mesoporous silica nanoparticles.

Specifications

Sinónimos

DTXSID4041232 | Benzene, 1, 3, 5-triisopropyl- | 1, 3, 5-tri(propan-2-yl)benzene | 2, 4, 6-Triisopropylbenzene | 1, 3, 5-tris(propan-2-yl)benzene | 1, 3, 5-TRIISOPROPYLBENZENE | MFCD00008890 | 1, 3, 5-tris(1-methylethyl)benzene | Benzene, 1, 3, 5-tris(1-methylethyl)- |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488181748
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181748
• Sonrisas canónicas: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
• IUPAC Name: 1,3,5-tri(propan-2-yl)benzene
• InChIKey: VUMCUSHVMYIRMB-UHFFFAOYSA-N
• INCHI: 1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3
• Isómeros SMILES: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
• WGK Alemania: 2
• PubChem CID: 12860
• Peso molecular: 204.35
• Beilstein: 1862750
• Reaxy-Rn: 1862750

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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

• Solubilidad: Immiscible with water.
• Punto de inflamación (°F): 188.6 °F
• Punto de inflamación (°C): 86℃
• Punto de ebullición (°C): 235°C
• Punto de fusión (°C): -7°C
• Peso molecular: 204.350 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 133.000
• 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

Referencias

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