9,10-Dibromoanthracene - ≥98%(HPLC) , CAS No.523-27-3

CAS: 523-27-3 Cat. No.: D123403 Molecular Weight: 336.02 Beilstein Registry Number: 5665 EC Number: 208-342-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

9,10-Dibromoanthracene, 98% | AS-14616 | 9,10-Dibromoanthracene | 9,10-Dibromo-anthracene | BCP06867 | NSC 6263 | D0166 | UNII-61CP7C5Y82 | 61CP7C5Y82 | SCHEMBL28511 | NCGC00260469-01 | SY012827 | 9,10 dibromoanthracene | 9,10- dibromoanthracene | 9,10 -d

Storage

Room temperature

Shipped In

Normal

Overview

application：

9,10-Dibromoanthracene is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Specifications

Synonyms

9, 10-Dibromoanthracene, 98% | AS-14616 | 9, 10-Dibromoanthracene | 9, 10-Dibromo-anthracene | BCP06867 | NSC 6263 | D0166 | UNII-61CP7C5Y82 | 61CP7C5Y82 | SCHEMBL28511 | NCGC00260469-01 | SY012827 | 9, 10 dibromoanthracene | 9, 10- dibromoanthracene | 9, 10 -d

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488184106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184106
• Canonical Smiles: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)Br
• IUPAC Name: 9,10-dibromoanthracene
• InChIKey: BRUOAURMAFDGLP-UHFFFAOYSA-N
• INCHI: 1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)Br
• WGK Germany: 3
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 336.02
• Beilstein: 5665
• Reaxy-Rn: 1912109
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912109&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water.(Slightly soluble) ether, benzene, alcohol
• Melt Point(°C): 220.0-228.0°C
• Molecular Weight: 336.020 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 335.897 Da
• Monoisotopic Mass: 333.899 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 203.000
• 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

References

1. Dan Li, Peipei Zhou, Yufei Hu, Gongke Li, Ling Xia.  (2022)  POSS-based fluorescence sensor for rapid analysis of β-carotene in health products.  LUMINESCENCE,  37  (8): (1290-1299).  [PMID:35614877] [10.1002/bio.4295]

2. Yuehong Pang, Nianci Yang, Xiaofang Shen, Yi Zhang, Liheng Feng.  (2019)  Conjugated polymer self-assembled with graphene: Synthesis and electrochemical 1-hydroxypyrene sensor.  POLYMER,      [PMID:] [10.1016/j.polymer.2019.122139]