2,6-디브로모페놀 - ≥98% , CAS No.608-33-3

CAS: 608-33-3 Cat. No.: D136206 분자식: C₆H₄Br₂O 분자량: 251.91 Beilstein Registry Number: 6(4)1064 EC 번호: 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

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

2,6-디브로모페놀은 발광성 해양 장내 세균인 발라노글로수스 비미니엔시스에서 분리되었으며, 이 동물의 특징적인 '이오도폼 유사' 냄새의 원인입니다
2,6-디브로모페놀은 2-(2,6-디브로모페녹시)에틸브로마이드의 제조에 사용되었습니다

Specifications

동의어

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

사양 및 순도

≥98%

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504752210
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752210
• 정식 스마일: 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
• 이성체 SMILES: C1=CC(=C(C(=C1)Br)O)Br
• 분자량: 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
    • 분류 Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 O-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

Xenopus laevis (337 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Ether,Ethanol,Methanol
• 감도: Air sensitive
• 끓는점(°C): 256 °C
• 녹는점(°C): 255-256°C
• 분자량: 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

참고 문헌

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]