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

CAS: 15364-55-3 Cat. No.: B152780 분자식: C₂₀H₁₃Br 분자량: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488188053
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188053
• 정식 스마일: 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
• 이성체 SMILES: C1=CC=C2C(=C1)C3C4=CC=CC=C4C2(C5=CC=CC=C35)Br
• 분자량: 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
    • 분류 Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 녹는점(°C): 254 °C
• 분자량: 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

자주 묻는 질문

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.