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2,6-Dibromophenol - analytical standard, high purity , CAS No.608-33-3
Basic Description
Synonyms
AJ-087/41885654 | Phenol, 2,6-dibromo- | MFCD00002152 | 2,6-dibromo-pheno | 2,6-DIBROMOPHENOL | 2,6-Dibromo-phenol | 2,6-Dibromophenol, 99% | AKOS009152462 | 27MIP05EAV | AC-23653 | D3384 | NSC 6214 | CHEBI:19391 | Z285522740 | 94N | BDBM50150789 | UNII-2
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Bromophenols
Direct Parent
O-bromophenols
Alternative Parents
Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.
External Descriptors
dibromophenol - bromohydrocarbon
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(Human)
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
2,6-dibromophenol
INCHI
InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
SSIZLKDLDKIHEV-UHFFFAOYSA-N
Smiles
C1=CC(=C(C(=C1)Br)O)Br
Isomeric SMILES
C1=CC(=C(C(=C1)Br)O)Br
Molecular Weight
251.91
Beilstein
6(4)1064
Reaxy-Rn
2043614
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043614&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
256 °C
Melt Point(°C)
255-256°C
Molecular Weight
251.900 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
251.861 Da
Monoisotopic Mass
249.863 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
87.100
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.
Xing Jiali, Xu Xiaorong, Li Yang, Chen Cancan, Mao Lingyan, Luo Xiaohu, Shen Jian, Cheng Hai, Zhang Shufen, Guo Yahui, Gan Ning.
(2023)
Simultaneous detection of multiple phenolic compounds in shrimps through gas chromatography–mass spectrometry coupled with a modified QuEChERS. EUROPEAN FOOD RESEARCH AND TECHNOLOGY,
(1-15).
2.
Yifei Zhang, Zhechao Hua, Xuewen Zhang, Kaiheng Guo, Jingyun Fang.
(2023)
Unexpected trends for the formation of chlorate and bromate during the photolysis of chlorine in bromide-containing water. WATER RESEARCH,
240
(120100).
3.
Xiao-Na Zhu, Jie Li, Gao-Lin Qiu, Lin Wang, Chen Lu, Yi-Ge Guo, Ke-Xin Yang, Fang Cai, Tao Xu, Ti-Fei Yuan, Ji Hu.
(2023)
Propofol exerts anti-anhedonia effects via inhibiting the dopamine transporter. NEURON,
111
(1626-1636.e6).
4.
Jiali Xing, Yang Li, Ruihang Zheng, Hao Shen, Xiaorong Xu, Lingyan Mao, Xiaohu Luo, Jian Shen, Weirong Yao.
(2022)
Simultaneous detection of multiple phenolic compounds in fish by gas chromatography-mass spectrometry following a modified QuEChERS cleanup. Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment,
39
(6):
(1136-1148).
5.
Mei-E Yue, Qiaoyan Lin, Jie Xu, Ting-Fu Jiang.
(2018)
Ionic liquid-based headspace in-tube liquid-phase microextraction coupled with CE for sensitive detection of phenols. ELECTROPHORESIS,
39
(14):
(1771-1776).
6.
Shaodong Hou,Li Ling,Dionysios D Dionysiou,Yuru Wang,Jiajia Huang,Kaiheng Guo,Xuchun Li,Jingyun Fang.
(2018-05-11)
Chlorate Formation Mechanism in the Presence of Sulfate Radical, Chloride, Bromide and Natural Organic Matter.. Environmental science & technology,
52
((11)):
(6317-6325).
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6 Citations