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Diquat Dibromide monohydrate - analytical standard, high purity , CAS No.6385-62-2
Basic Description
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 Temp
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
Product Description
Diquat dibromide hydrate is a diazine-like herbicide including two nitrogen atoms.
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate
INCHI
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
InChIKey
KLJOSQAQZMLLMB-UHFFFAOYSA-L
Smiles
C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air sensitive；Moisture sensitive
Melt Point(°C)
320°C
Molecular Weight
362.060 g/mol
XLogP3
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
Citations of This Product
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).
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).
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,
10
(108278).
4.
Xiang Liang, Jianming Fan, Dong Liang, Yan Xu, Yuqi Zhi, Huiping Hu, Xiaoqing Qiu.
(2021)
Surface hydroxyl groups functionalized graphite carbon nitride for high efficient removal of diquat dibromide from water. JOURNAL OF COLLOID AND INTERFACE SCIENCE,
582
(70).
5.
Zhengsong Wu, Fei Xu, Chun Yang, Xiaoxuan Su, Fucheng Guo, Qinyuan Xu, Guilong Peng, Qiang He, Yi Chen.
(2019)
Highly efficient nitrate removal in a heterotrophic denitrification system amended with redox-active biochar: A molecular and electrochemical mechanism. BIORESOURCE TECHNOLOGY,
275
(297).
6.
Chen Zhou, Huiqing Wang, Youbin Si, Kang Wu, Amina Yousaf.
(2018)
Electron shuttles enhance the degradation of sulfamethoxazole coupled with Fe(III) reduction by Shewanella oneidensis MR-1. ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY,
62
(156).
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).
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).
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,
225
(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,
251
(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,
281
(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).
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,
15
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13 Citations
A2514534