7-tert-Butyl-1-methylpyrene - ≥97% , CAS No.155386-57-5

CAS: 155386-57-5 Cat. No.: T1339591 Molecular Weight: 272.38

GRADE & PURITY ≥97%

Synonyms

Pyrene,7-(1,1-dimethylethyl)-1-methyl- | 7-TERT-BUTYL-1-METHYLPYRENE | 7-TERT-BUTYL-1-METHYLPYRENE | 7-TERT-BUTYL-1-METHYLPYRENE ---WHITE POWDER--- | 1-methyl-7-t-butylpyrene | 7-t-butyl-1-methylpyrene | FR-2363 | FT-0675970 | YMYRIGNUXGMIRL-UHFFFAOYSA-N

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Pyrene, 7-(1, 1-dimethylethyl)-1-methyl- | 7-TERT-BUTYL-1-METHYLPYRENE | 7-TERT-BUTYL-1-METHYLPYRENE | 7-TERT-BUTYL-1-METHYLPYRENE ---WHITE POWDER--- | 1-methyl-7-t-butylpyrene | 7-t-butyl-1-methylpyrene | FR-2363 | FT-0675970 | YMYRIGNUXGMIRL-UHFFFAOYSA-N

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=C2C=CC3=C4C2=C(C=C1)C=CC4=CC(=C3)C(C)(C)C
• IUPAC Name: 7-tert-butyl-1-methylpyrene
• InChIKey: YMYRIGNUXGMIRL-UHFFFAOYSA-N
• INCHI: 1S/C21H20/c1-13-5-6-14-7-8-15-11-17(21(2,3)4)12-16-9-10-18(13)20(14)19(15)16/h5-12H,1-4H3
• Molecular Weight: 272.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 272.400 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 272.157 Da
• Monoisotopic Mass: 272.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 389.000
• 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