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4,4'-Dibromobenzophenone - analytical standard, high purity , CAS No.3988-03-2
Basic Description
Synonyms
4,4'-Dibromobenzophenone | 3988-03-2 | bis(4-bromophenyl)methanone | Methanone, bis(4-bromophenyl)- | p,p'-Dibromobenzophenone | 4,4-DIBROMOBENZOPHENONE | Bis(p-bromophenyl) ketone | MFCD00016330 | Benzophenone, 4,4'-dibromo- | Methanone, bis[4-bromophenyl]- | C13H8Br2O | NSC8
Specifications & Purity
analytical standard
Storage Temp
Protected from light
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
bis(4-bromophenyl)methanone
INCHI
InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
LFABNOYDEODDFX-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br
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=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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
Citations of This Product
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,
53
(22):
(10117–10127).
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).
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,
341
(126837).
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