Diquat Dibromide - Moligand™,≥98% , CAS No.85-00-7

CAS: 85-00-7 Cat. No.: D350633 Molecular Weight: 344.05 EC Number: 201-579-4
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
Reglox | Ortho-Diquat | Deiquat | 6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide | 6BDV3T272W | Ethylene dipyridylium dibromide | Aquacide | Diquat dibromide [ISO] | Detrone | Weedtrine-D | Preeglone | Reglon | Reglone
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
D350633-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$69.90
25mg
D350633-25mg
3
$199.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Diquat dibromide is a comprehensive herbicide commonly used in the cultivation of cotton, soybeans, and other crops to combat unwanted weeds. Diquat dibromide has an IC50 of 60 mg/L in the Allium root growth inhibition test.

Specifications

Synonyms
Reglox | Ortho-Diquat | Deiquat | 6, 7-Dihydrodipyrido[1, 2-a:2', 1'-c]pyrazine-5, 8-diium bromide | 6BDV3T272W | Ethylene dipyridylium dibromide | Aquacide | Diquat dibromide [ISO] | Detrone | Weedtrine-D | Preeglone | Reglon | Reglone
Specifications & Purity
Moligand™, ≥98%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Purity
≥98%
Names and Identifiers
Canonical SmilesC1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]
IUPAC Name7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide
InChIKeyODPOAESBSUKMHD-UHFFFAOYSA-L
INCHI1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2
Isomeric SMILES C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]
UN Number 2781
Packing Group I
Molecular Weight 344.05
Reaxy-Rn 3769318
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3769318&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassPyridinium derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinium derivatives
Alternative Parents Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic bromide salts  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
E2627459Certificate of AnalysisMar 16, 2026 D350633
H2416137Certificate of AnalysisAug 08, 2024 D350633
H2416138Certificate of AnalysisAug 08, 2024 D350633
Chemical and Physical Properties
SensitivityLight sensitive;Moisture sensitive
Molecular Weight344.040 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass343.935 Da
Monoisotopic Mass341.937 Da
Topological Polar Surface Area7.800 Ų
Heavy Atom Count16
Formal Charge0
Complexity182.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Documents & Articles
Citations of This Product
References
1. Xiaoming Li, De Zhang, Le Wang, Lu Yin, Xiaohua Qi, Minqiang Zou, Qiang Chen, Zhi Yu, Pei Liang.  (2023)  Shrinking gap between nanoparticles in gold nanofilms to enhance Surface-Enhanced Raman Spectroscopy performance investigated by both experimental and theoretical methods.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.157823]
2. Kai-Ni Wei, Ru-Pei Yang, Shu-Zhen Huang, Zhu Tao, Qing Tang, Ying Huang.  (2023)  Supramolecular Fluorescence Sensor Array Based on Cucurbit[8]uril Complexes Used for the Detection of Multiplex Quaternary Ammonium Pesticides.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37289636] [10.1021/acs.jafc.3c00347]
3. Shuiping Tang, Yong Huang, Shulin Zhao, Kun Hu.  (2023)  Surface molecularly imprinted-based matrix-assisted laser desorption/ionization time-of-flight mass spectrometry for highly selective and sensitive direct analysis of paraquat in complicated samples.  TALANTA,      [PMID:36898307] [10.1016/j.talanta.2023.124423]
4. Gaojun Wang, Yao Xing, Guohao Liu, Yuxi Chu, Gaofei Yao, Qian Li, Rong Chen.  (2021)  Poorly conductive biochar boosting extracellular electron transfer for efficient volatile fatty acids oxidation via redox-mediated mechanism.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:34688743] [10.1016/j.scitotenv.2021.151113]
5. Yang Guo, Juhong Zhan, Gang Yu, Yujue Wang.  (2021)  Evaluation of the concentration and contribution of superoxide radical for micropollutant abatement during ozonation.  WATER RESEARCH,      [PMID:33618107] [10.1016/j.watres.2021.116927]
6. Hanhan Xie, Penghui Li, Jundong Shao, Hao Huang, Yue Chen, Zhenyou Jiang, Paul K. Chu, Xue-Feng Yu.  (2019)  Electrostatic Self-Assembly of Ti3C2Tx MXene and Gold Nanorods as an Efficient Surface-Enhanced Raman Scattering Platform for Reliable and High-Sensitivity Determination of Organic Pollutants.  ACS Sensors,      [PMID:31385492] [10.1021/acssensors.9b00778]
7. Kang Yan, Li Long, Chen Wanchao, Zhang Feiyu, Du Yiping, Wu Ting.  (2018)  Rapid In Situ SERS Analysis of Pesticide Residues on Plant Surfaces Based on Micelle Extraction of Targets and Stabilization of Ag Nanoparticle Aggregates.  Food Analytical Methods,  11  (11): (3161-3169).  [PMID:] [10.1007/s12161-018-1290-2]
8. Y. Li, R. Zhao, S. Chao, B. Sun, N. Zhang, J. Qiu, C. Wang, X. Li.  (2017)  A flexible magnesium silicate coated electrospun fiber adsorbent for high-efficiency removal of a toxic cationic herbicide.  NEW JOURNAL OF CHEMISTRY,  41  (24): (15601-15611).  [PMID:] [10.1039/C7NJ03168H]
9. Yuan Gao, Yian Deng, Wenjie Li, Junjie Wang, Mingze Liu, Hanchuan Dai.  (2025)  CXCR3 inhibition ameliorates mitochondrial function to restrict oxidative damage via NCOA4-mediated ferritinophagy and improves the gut microbiota in mice.  FREE RADICAL BIOLOGY AND MEDICINE,      [PMID:39827924] [10.1016/j.freeradbiomed.2025.01.034]
10. Luo Junqiu, Wu Xiu, Chen Daiwen, Yu Bing, He Jun.  (2024)  Dietary ferulic acid supplementation enhances antioxidant capacity and alleviates hepatocyte pyroptosis in diquat challenged piglets.  Journal of Animal Science and Biotechnology,  15  (1): (1-11).  [PMID:39370514] [10.1186/s40104-024-01086-5]
11. Xin Liu, Shiyue Niu, Bin Yang, Jia Liu, Liqian Niu, Xian Wang, Daqian Song, Shuyun Bi.  (2025)  Fabrication of BSA-protected AgNPs modified MIL-53(Al) as SERS substrate for trace determination of diquat and dipterex.  TALANTA,      [PMID:40154046] [10.1016/j.talanta.2025.128002]
12. Tianyue Zhang, Xueting Li, Dongmei Liu, Jiyu An, Maofeng Zhang, Jian hua Li, Changlong Jiang.  (2024)  Plasmonic AgNPs reinforced flexible hydrogel Surface-Enhanced Raman scattering (SERS) sensor for in-situ detection of curved samples.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153082]
13. Xiaojun Wen, Yiting Liu, Weilong Zhang, Lijun You, Ning Cai, Jumei Li.  (2024)  Recyclable NiO/g-C3N4/ag hybrid substrates for sensitive SERS detection and photo-degradation of residual pesticides in beverages.  FOOD CHEMISTRY,      [PMID:39522373] [10.1016/j.foodchem.2024.141935]
14. Yuzhu Li, Zhongxiang Ding, Hongyan Wang, Cheng Qu, Guangping Li, Honglin Liu.  (2025)  Reversible Swell–Shrink Hydrogel Microspheres for High-Selectivity Digital SERS Analysis of Nonvolatile Fentanyl in Simulated Breath Aerosols.  ANALYTICAL CHEMISTRY,      [PMID:39908397] [10.1021/acs.analchem.4c05999]
15. Liang Zeng, Sizhe Yang, Quan Chen, Wang Fu, Min Wu, Patryk Oleszczuk, Bo Pan, Baoshan Xing.  (2024)  The critical role of electron donating rate of pyrogenic carbon in mediating the degradation of phenols in the aquatic environment.  WATER RESEARCH,      [PMID:39128335] [10.1016/j.watres.2024.122217]
16. Xin Li, Aiyu Niu, Shanshan Yang, Fei Liu.  (2024)  The reduction of nitrobenzene by Fe(II)-goethite-hematite heterogeneous systems: Insight from thermodynamic parameters of reduction potential.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:39250851] [10.1016/j.jenvman.2024.122404]
17. Wei Zhang, Kuang Luo, Wenjie Chen, Min Chen, Ning Cai, Jumei Li.  (2025)  Highly SERS active composite of silver nanospheres-decorated Ag nanostar/ZIF-8 for determination of diquat and thiram residues.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40795712] [10.1016/j.saa.2025.126813]
18. Siyuan Zheng, Hao Liu, Zhaohao Wei, Rui Hu, Kang Cheng, Xi Bian, Wei Wang, Le Wang, Yongchao Lai.  (2025)  All-metal flexible surface-enhanced Raman spectroscopy substrate for robust surface screening.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2025.107694]
19. Chen Ronghua, Li Chaozheng, Zhao Di, Yang Guili, Zeng Lingda, Lin Fei, Xu Hanhong.  (2025)  Fabricating supramolecular pre-emergence herbicide CPAM-BPyHs for farming herbicide-resistant rice.  Nature Communications,  16  (1): (1-12).  [PMID:40348750] [10.1038/s41467-025-59582-9]
20. Liting Xu, Caiwei Luo, Xuyang Gao, Jianmin Yuan, Bin Fu.  (2026)  EGCG Derivatives Alleviate Diquat-Induced Liver and Gut Damage in Mice by Activating an Antioxidant Pathway and Enhancing Barrier Function.  Animals,  16  (6): (966).  [PMID:] [10.3390/ani16060966]
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