4,4'-Dibromobenzophenone - analytical standard , CAS No.3988-03-2

CAS: 3988-03-2 Cat. No.: D106543 Molecular Weight: 340.01 Beilstein Registry Number: 2049958 EC Number: 223-632-0

GRADE & PURITY Analytical standard

Synonyms

BBL103287 | Benzophenone, 4,4'-dibromo- | p,p'-Dibromobenzophenone | STL557097 | FT-0696463 | D5211 | 1-chloro-1,2-dibromotrifluoroethane | bis(4-bromophenyl) ketone | SY038970 | DTXSID00192919 | Flugex 12B1 | 4,4'-Dibromobenzophenone | 4,4-DIBROMOBENZOPH

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

BBL103287 | Benzophenone, 4, 4'-dibromo- | p, p'-Dibromobenzophenone | STL557097 | FT-0696463 | D5211 | 1-chloro-1, 2-dibromotrifluoroethane | bis(4-bromophenyl) ketone | SY038970 | DTXSID00192919 | Flugex 12B1 | 4, 4'-Dibromobenzophenone | 4, 4-DIBROMOBENZOPH

Specifications & Purity

analytical standard

Storage

Protected from light, Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br
• IUPAC Name: bis(4-bromophenyl)methanone
• InChIKey: LFABNOYDEODDFX-UHFFFAOYSA-N
• INCHI: 1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
• Isomeric SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br
• WGK Germany: 3
• Molecular Weight: 340.01
• Beilstein: 2049958
• Reaxy-Rn: 2049958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049958&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Ketone - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Associated Targets(non-human)

Trypanosoma brucei rhodesiense (7991 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Boil Point(°C): 395 °C
• Melt Point(°C): 172-176°C
• Molecular Weight: 340.010 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 339.892 Da
• Monoisotopic Mass: 337.894 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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. Ningwei Sun, Kaixin Su, Ziwei Zhou, Daming Wang, Andreas Fery, Franziska Lissel, Xiaogang Zhao, Chunhai Chen.  (2020)  “Colorless-to-Black” Electrochromic and AIE-Active Polyamides: An Effective Strategy for the Highest-Contrast Electrofluorochromism.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.0c01019]

2. Lamaocao Ma, Hengchang Ma.  (2019)  Synthesis of π-conjugated network polymers based on triphenylamine (TPA) and tetraphenylethylene (TPE) as building blocks via direct Pd-catalyzed reactions and their application in CO2 capture and explosive detection.  RSC Advances,  9  (32): (18098-18105).  [PMID:35515247] [10.1039/C9RA02469G]

3. Haonan Zhang, Changhe Lu, Shuai Wang, Qinhua Zhang, Qiang Zhou, Shuxu Zhu, Chong Qi, Mingbo Wu, Wenting Wu.  (2024)  Photocatalytic propylene epoxidation with O2 over 4,4′-dibromobenzophenone modified carbon nitride coupled with TS-1.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126837]