Diquat Dibromide monohydrate - analytical standard , CAS No.6385-62-2

CAS: 6385-62-2 Cat. No.: D101258 Molecular Weight: 362.06 Beilstein Registry Number: 3769318 EC Number: 626-433-0

GRADE & PURITY Analytical standard

Synonyms

DTXCID5011248 | Q27282442 | Diquat dibromide monohydrate, PESTANAL(R), analytical standard | BDBM50153015 | Diquat (dibromide hydrate) | NCGC00255043-01 | UNII-KU81Z1B8QW | DTXSID7031248 | starbld0009567 | 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyra

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Diquat dibromide hydrate is a diazine-like herbicide including two nitrogen atoms.

Specifications

Synonyms

DTXCID5011248 | Q27282442 | Diquat dibromide monohydrate, PESTANAL(R), analytical standard | BDBM50153015 | Diquat (dibromide hydrate) | NCGC00255043-01 | UNII-KU81Z1B8QW | DTXSID7031248 | starbld0009567 | 3H-[1]Benzopyrano[3, 4-b]pyrano[2, 3-h][1]benzopyra

Specifications & Purity

analytical standard

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.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
• IUPAC Name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate
• InChIKey: KLJOSQAQZMLLMB-UHFFFAOYSA-L
• INCHI: 1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2
• Isomeric SMILES: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
• WGK Germany: 3
• RTECS: JM5720000
• Molecular Weight: 362.06
• Beilstein: 3769318
• Reaxy-Rn: 17835626
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17835626&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive；Moisture sensitive
• Melt Point(°C): 320°C
• Molecular Weight: 362.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 361.945 Da
• Monoisotopic Mass: 359.947 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 182.000
• 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: 4

XLogP3

References

1. Keyi Nong, Youming Liu, Xin Fang, Xinyun Qin, Zhineng Liu, Haiwen Zhang.  (2023)  Effects of the Vitamin D3 on Alleviating the Oxidative Stress Induced by Diquat in Wenchang Chickens.  Animals,  13  (4): (711).  [PMID:36830496] [10.3390/ani13040711]

2. Huazhong Zhang, Jinsong Zhang, Jinquan Li, Zhengsheng Mao, Jian Qian, Cheng Zong, Hao Sun, Beilei Yuan.  (2023)  Multi-Omics Analyses Reveal the Mechanisms of Early Stage Kidney Toxicity by Diquat.  Toxics,  11  (2): (184).  [PMID:36851058] [10.3390/toxics11020184]

3. Jiafeng He, Xian Li, Jumei Li.  (2022)  Facile construction of silver nanocubes/graphene oxide composites for highly sensitive SERS detection of multiple organic contaminants by a portable Raman spectrometer.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2022.108278]

4. Xiang Liang, Jianming Fan, Dong Liang, Yan Xu, Yuqi Zhi, Huiping Hu, Xiaoqing Qiu.  (2020)  Surface hydroxyl groups functionalized graphite carbon nitride for high efficient removal of diquat dibromide from water.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:32810691] [10.1016/j.jcis.2020.08.011]

5. Zhengsong Wu, Fei Xu, Chun Yang, Xiaoxuan Su, Fucheng Guo, Qinyuan Xu, Guilong Peng, Qiang He, Yi Chen.  (2018)  Highly efficient nitrate removal in a heterotrophic denitrification system amended with redox-active biochar: A molecular and electrochemical mechanism.  BIORESOURCE TECHNOLOGY,      [PMID:30594840] [10.1016/j.biortech.2018.12.058]

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7. Yongmei Hao, Zhongkai Wang, Jiajia Gou, Zhongming Wang.  (2015)  Kinetics and thermodynamics of diquat removal from water using magnetic graphene oxide nanocomposite.  CANADIAN JOURNAL OF CHEMICAL ENGINEERING,  93  (10): (1713-1720).  [PMID:] [10.1002/cjce.22278]

8. Chunjie Hou, Zirou Yu, Chenyu Shi, Ya Huang, Hu Liu.  (2025)  Brown Algae Polysaccharides Alleviate Diquat-Induced Oxidative Stress in Piglets and IPEC-J2 Cells via Nrf2/ARE Signaling Pathway.  Animals,  15  (4): (559).  [PMID:40003040] [10.3390/ani15040559]

9. Kuang Luo, Ao Chen, Yiting Liu, Jie Yang, Ning Cai, Jumei Li.  (2025)  Constructing a highly sensitive SERS sensor based on necklace-like CNC/ZIF-8/Ag to detect and photo-degrade diquat in green tea leaves.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.120453]

10. Peiwen Li, Qiansheng Li, Hong Lu, Ze Fu, Jiti Zhou, Chenghao Sun, Xuehai Wang.  (2024)  Effect of sludge humic acid-derived nano-biochars on anaerobic degradation of sulfamethoxazole by Shewanella oneidensis MR-1.  ENVIRONMENTAL RESEARCH,      [PMID:38479717] [10.1016/j.envres.2024.118655]

11. Huazhong Zhang, Hao Sun, Jian Qian, Li Sun, Cheng Zong, Jinsong Zhang, Beilei Yuan.  (2024)  High expression of 3-hydroxy-3-methylglutaryl-CoA synthase 2 (HMGCS2) associated with Diquat-induced damage.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:38905939] [10.1016/j.ecoenv.2024.116623]

12. Zhengqi Su, Huaming Guo, Zhipeng Gao, Tiantian Ke, Xiaojun Feng, Lingzhi Zhang.  (2025)  In Situ Reduction of Fe(III) (Hydr)oxides-Bound As(V) via Electron Shuttling in the Presence of Organic Matter.  Journal of Geophysical Research-Biogeosciences,  130  (3): (e2024JG008675).  [PMID:] [10.1029/2024JG008675]

13. Shuo Yang, Min Huo, Zixuan Su, Fangfang Wang, Yongying Zhang, Cuihong Zhong, Yuxiang Shi.  (2024)  The impact of dietary supplementation of Quercetagetin on growth, antioxidant capacity, and gut microbiota of diquat-challenged broilers.  Frontiers in Microbiology,      [PMID:39539705] [10.3389/fmicb.2024.1453145]

14. Xue Ma, Mengmeng Fu, Kai Hu, Li Gao, Chenchen Song, Shusheng Zhang, Renyong Zhao, Wenjie Zhao.  (2025)  Sustainable One-Pot Synthesis of Dual-Mechanism Magnetic HCPs for Classified Extraction of Trace PAHs and Quaternary Ammonium Pesticides in Environmental Waters.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40967004] [10.1016/j.jhazmat.2025.139820]

15. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu.  (2025)  Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus).  VETERINARY PARASITOLOGY,      [PMID:39837239] [10.1016/j.vetpar.2025.110401]

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17. Xiaojun Feng, Yao Li, Jianyi Jin, Wen Qiao, Zhipeng Gao, Huaming Guo.  (2025)  Electrochemistry and Molecular Compositions Reflect Electron Shuttling of Dissolved Organic Matter in High Arsenic Groundwater.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40257399] [10.1021/acs.est.4c13575]

18. Chaocheng Wang, Haiqun Yang, Zhiyu Wang, Junzhao Liu, Yu Du.  (2026)  Lysine succinylation-mediated energy metabolism imbalance drives brain injury in acute diquat poisoning.  TOXICOLOGY AND APPLIED PHARMACOLOGY,      [PMID:] [10.1016/j.taap.2026.117782]

19. Xiaojun Feng, Zhengqi Su, Simeng Li, Xiaoxing Ming, Di Zhang, Huaming Guo.  (2026)  Reduction of As(V)-bearing goethite by dissolved organic matter from arsenic-prone groundwater during the repeated electron shuttling.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:] [10.1016/j.jhazmat.2026.141901]