1,6-Dibromopyren - ≥98% , CAS No.27973-29-1

CAS: 27973-29-1 Cat. No.: D155395 Summenformel: C₁₆H₈Br₂ Molekulargewicht: 360.05 Beilstein Registry Number: 5(4)2471 EG-Nummer: 881-564-2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL283079 | SB66576 | MFCD09263746 | GS-3330 | AM84874 | SY046555 | 2-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]-sulfonyl}benzoicacid | 1,6-dibromopyrene | Pyrene, 1,6-dibromo- | FT-0650145 | JRCJYPMNBNNCFE-UHFFFAOYSA-N | AKOS015915111 | J-016933 | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL283079 | SB66576 | MFCD09263746 | GS-3330 | AM84874 | SY046555 | 2-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]-sulfonyl}benzoicacid | 1,6-dibromopyrene | Pyrene, 1,6-dibromo- | FT-0650145 | JRCJYPMNBNNCFE-UHFFFAOYSA-N | AKOS015915111 | J-016933 | DTXS

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488188498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188498
• Kanonisches Lächeln: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br
• IUPAC Name: 1,6-dibromopyrene
• InChIKey: JRCJYPMNBNNCFE-UHFFFAOYSA-N
• INCHI: 1S/C16H8Br2/c17-13-8-4-10-2-6-12-14(18)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H
• Isomere SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)Br
• Molekulargewicht: 360.05
• Beilstein: 5(4)2471
• Reaxy-Rn: 1972896
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1972896&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Polybrominated biphenyls Phenanthrenes and derivatives Naphthalenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Polybrominated biphenyl - Phenanthrene - Naphthalene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 230 °C
• Molekulargewicht: 360.040 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 359.897 Da
• Monoisotopic Mass: 357.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 297.000
• 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

Referenzen

1. Wei Liu, Haibo Chen, Shifeng Zhang, Peng Li, Weibing Wu.  (2023)  Synthesis of Novel Fluorescent Conjugated Polymers and Their Rapid Gas-Phase Detection of Trace Nitro-Explosives.  MACROMOLECULAR CHEMISTRY AND PHYSICS,      [PMID:] [10.1002/macp.202300325]

2. Xiaomei Zhang, Zhiming Gou, Yujing Zuo, Weiying Lin.  (2021)  Pyrene-based polymer fluorescent materials for the detection of 2,4,6-trinitrophenol and cell imaging.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2021.113183]

3. Yu Zang, Yangyang Yu, Yanlin Chen, Minyi Fan, Jianjun Wang, Jiao Liu, Liang Xu, Hongge Jia, Shaobo Dong.  (2024)  Synthesis of conjugated microporous polymers rich in sulfonic acid groups for the highly efficient adsorption of Cs+.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.149709]

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 27973-29-1, the molecular formula is C16H8Br2, and the molecular weight is 360.05 g/mol. InChIKey JRCJYPMNBNNCFE-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.