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2-Bromophenol - 99%, high purity , CAS No.95-56-7
Basic Description
Synonyms
A845333 | DTXSID8052641 | o-Bromophenol | o-bromo-phenol | UNII-A0UB206YF0 | BROMOPHENOL | bromo-phenol | PS-5410 | WLN: QR BE | 2BR | InChI=1/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8 | O-BROMOPHENOL [MI] | AC-10760 | EINECS 202-432-7 | DTXCID5031214 | SCHEMBL49
Specifications & Purity
≥99%
Storage Temp
Argon charged
Shipped In
Normal
Product Description
Usually used in the preparation of anti-benzofurobenzofuran diimides. And also used to study the photodegradation of 2-bromophenol using UV-Vis spectroscopy and HPLC.
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 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-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
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(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
Pubchem Sid
488180351
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180351
IUPAC Name
2-bromophenol
INCHI
InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey
VADKRMSMGWJZCF-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)O)Br
Isomeric SMILES
C1=CC=C(C(=C1)O)Br
WGK Germany
3
RTECS
SJ7875000
UN Number
1993
Molecular Weight
173.01
Beilstein
1905115
Reaxy-Rn
1905115
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905115&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in chloroform and ether. Slightly soluble in water
Sensitivity
air sensitive，light sensitive
Refractive Index
1.588-1.59
Flash Point(°F)
107.6 °F
Flash Point(°C)
42℃
Boil Point(°C)
195°C
Melt Point(°C)
5°C
Molecular Weight
173.010 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
171.952 Da
Monoisotopic Mass
171.952 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
74.900
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.
An Yueqi, Ruan Qiufeng, Wenrong Li, Zhang Xuezhen, Xiong Shanbai.
(2024)
Comparison of volatile aroma compounds in commercial surimi and their products from freshwater fish and marine fish and aroma fingerprints establishment based on metabolomics analysis methods. FOOD CHEMISTRY,
433
(137308).
3.
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).
4.
Cong Wang, Shao-Yi Jia, You Han, Yang Li, Yong Liu, Hai-Tao Ren, Song-Hai Wu, Xu Han.
(2021)
Selective Oxidation of Various Phenolic Contaminants by Activated Persulfate via the Hydrogen Abstraction Pathway. ACS ES&T Engineering,
1
(9):
(1275–1286).
5.
Li Zhijun, Zhang Mingyang, Zhang Lili, Dong Xiuli, Leng Leipeng, Horton J. Hugh, Wang Jun.
(2022)
Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction. Nano Research,
15
(2):
(1338-1346).
6.
Chaoyi Wang, Pan Zou, Ting Zhang, Haipu Li, Zhaoguang Yang.
(2016)
Simultaneous determination of haloanisoles and halophenols in water using in situ acylation combined with solid-phase microextraction with gas chromatography and mass spectrometry. JOURNAL OF SEPARATION SCIENCE,
40
(2):
(514-523).
7.
Yue Zhang, Zhiyong Li, Huiyong Wang, Xiaopeng Xuan, Jianji Wang.
(2016)
Efficient separation of phenolic compounds from model oil by the formation of choline derivative-based deep eutectic solvents. SEPARATION AND PURIFICATION TECHNOLOGY,
163
(310).
8.
Jiali Peng, Lun Li, Shihuai Deng, Hongyu Zhou, Yanjun Li, Chenye Fu, Long Lin, Yue Yuan, Wei Wei, Guochun Lv, Gang Yang, Xiaohui Lu, Bo Lai.
(2025)
Activation of persulfates on carbon nanotubes for water decontamination: Is the non-radical process consistently considered across different pH levels?. JOURNAL OF HAZARDOUS MATERIALS,
485
(136911).
9.
Jingjing Liu, Lei Yao, Fang Zhao, Jingjing Zhang, Jingbo Gong, Jiabin Li, Ya Bian, Yalin Yin, Rui Zhao, Yijia Wang, Wei Wang.
(2025)
Dual-domain superoxide dismutase: In silico prediction directed combinatorial mutation for enhanced robustness and catalytic efficiency. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,
292
(139179).
10.
Jie Chen, Peizeng Yang, Jing Chen, Bin Gao, Junhe Lu.
(2024)
Nitrite facilitated transformation of halophenols in ice. WATER RESEARCH,
263
(122158).
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10 Citations
C23101220