9-Bromotriptycene - ≥98% , CAS No.15364-55-3

CAS: 15364-55-3 Cat. No.: B152780 Summenformel: C₂₀H₁₃Br Molekulargewicht: 333.23

GRADE & PURITY ≥98%

Synonyms

1-bromopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene | SY055772 | MFCD27976806 | SCHEMBL20199849 | 9,10(1',2')-Benzenoanthracene, 9-bromo-9,10-dihydro- | 9,10[1',2']-Benzenoanthracene, 9-bromo-9,10-dihydro- | B3955 | DTXSID001653

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-bromopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene | SY055772 | MFCD27976806 | SCHEMBL20199849 | 9,10(1',2')-Benzenoanthracene, 9-bromo-9,10-dihydro- | 9,10[1',2']-Benzenoanthracene, 9-bromo-9,10-dihydro- | B3955 | DTXSID001653

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488188053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188053
• Kanonisches Lächeln: C1=CC=C2C(=C1)C3C4=CC=CC=C4C2(C5=CC=CC=C35)Br
• IUPAC Name: 1-bromopentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
• InChIKey: HSROKCVTEYMWHO-UHFFFAOYSA-N
• INCHI: 1S/C20H13Br/c21-20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)20)15-9-3-6-12-18(15)20/h1-12,19H
• Isomere SMILES: C1=CC=C2C(=C1)C3C4=CC=CC=C4C2(C5=CC=CC=C35)Br
• Molekulargewicht: 333.23
• Reaxy-Rn: 2056938
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056938&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 254 °C
• Molekulargewicht: 333.200 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 332.02 Da
• Monoisotopic Mass: 332.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 356.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15364-55-3, the molecular formula is C20H13Br, and the molecular weight is 333.23 g/mol. InChIKey HSROKCVTEYMWHO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.