2,6-Dibromophenol - ≥98% , CAS No.608-33-3

CAS: 608-33-3 Cat. No.: D136206 Molecular Weight: 251.91 Beilstein Registry Number: 6(4)1064 EC Number: 210-161-0

GRADE & PURITY ≥98%

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

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

2,6-Dibromophenol has been isolated from a luminous marine enteropneust, Balanoglossus biminiensis and is responsible for the characteristic ″iodoform-like″ odor of these animals
2,6-Dibromophenol has been used in the preparation of 2-(2,6-dibromophenoxy)ethylbromide

Specifications

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

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752210
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752210
• Canonical Smiles: C1=CC(=C(C(=C1)Br)O)Br
• IUPAC Name: 2,6-dibromophenol
• InChIKey: SSIZLKDLDKIHEV-UHFFFAOYSA-N
• INCHI: 1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 O-bromophenols

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

Associated Targets(non-human)

Xenopus laevis (337 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

• Solubility: Soluble in Ether,Ethanol,Methanol
• Sensitivity: Air sensitive
• 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

References

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,      [PMID:] [10.1007/s00217-023-04430-7]

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,      [PMID:37247439] [10.1016/j.watres.2023.120100]

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,      [PMID:36917979] [10.1016/j.neuron.2023.02.017]

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,      [PMID:35442851] [10.1080/19440049.2022.2062058]

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).  [PMID:29683521] [10.1002/elps.201800068]

6. Jin Jie Li, Ya Xin Yue, Sheng Jie Shi, Jun Zeng Xue.  (2023)  Investigation on toxicity mechanism of halogenated aromatic disinfection by-products to zebrafish based on molecular docking and QSAR model.  CHEMOSPHERE,      [PMID:37633607] [10.1016/j.chemosphere.2023.139916]

7. Shaodong Hou, Li Ling, Dionysios D. Dionysiou, Yuru Wang, Jiajia Huang, Kaiheng Guo, Xuchun Li, Jingyun Fang.  (2018)  Chlorate Formation Mechanism in the Presence of Sulfate Radical, Chloride, Bromide and Natural Organic Matter.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:29746105] [10.1021/acs.est.8b00576]