Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(C(CO)([N+](=O)[O-])Br)O |
|---|---|
| IUPAC Name | 2-bromo-2-nitropropane-1,3-diol |
| InChIKey | LVDKZNITIUWNER-UHFFFAOYSA-N |
| INCHI | 1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2 |
| Isomeric SMILES | C(C(CO)([N+](=O)[O-])Br)O |
| WGK Germany | 2 |
| RTECS | TY3385000 |
| UN Number | 3241 |
| Packing Group | III |
| Molecular Weight | 199.99 |
| Beilstein | 1705868 |
| Reaxy-Rn | 1705868 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705868&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | C-nitro compounds |
| Alternative Parents | Bromohydrins Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organobromides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Bromohydrin - Halohydrin - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Alcohol - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. |
| External Descriptors | Pesticides |
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| Flash Point(°C) | 167°C |
|---|---|
| Melt Point(°C) | 130-133°C |
| Molecular Weight | 199.990 g/mol |
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.948 Da |
| Monoisotopic Mass | 198.948 Da |
| Topological Polar Surface Area | 86.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 107.000 |
| 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 | 1 |
| 1. Mengqiang Wang, Li Jia, Xun Jiao, Tangwei Zhang, Ming Xiao, Miao Wang, Shanshan Wang, Lufei Zheng, Jing Wang, Yongxin She, A.M. Abd EI-Aty. (2023) A rapid method for detecting bronopol in fresh fish, shrimp, crab, and shellfish samples using liquid chromatography-tandem mass spectrometry. JOURNAL OF CHROMATOGRAPHY A, [PMID:37826921] [10.1016/j.chroma.2023.464429] |
| 2. Yuan Qu, Heng Qian, Yiduo Mi, Jingjing He, Haixiang Gao, Runhua Lu, Sanbing Zhang, Wenfeng Zhou. (2020) Rapid determination of the pesticide ametryn based on a colorimetric aptasensor of gold nanoparticles. Analytical Methods, 12 (14): (1919-1925). [PMID:] [10.1039/D0AY00283F] |
| 3. Lei Yuan, Faizan A. Sadiq, Tong-jie Liu, Yang Li, Jing-si Gu, Huan-yi Yang, Guo-qing He. (2018) Spoilage potential of psychrotrophic bacteria isolated from raw milk and the thermo-stability of their enzymes. Journal of Zhejiang University-SCIENCE B, [PMID:30070086] [10.1631/jzus.B1700352] |
| 4. Faizan A. Sadiq, Yun Li, TongJie Liu, Steve Flint, Guohua Zhang, Lei Yuan, Zhipeng Pei, GuoQing He. (2016) The heat resistance and spoilage potential of aerobic mesophilic and thermophilic spore forming bacteria isolated from Chinese milk powders. INTERNATIONAL JOURNAL OF FOOD MICROBIOLOGY, [PMID:27657656] [10.1016/j.ijfoodmicro.2016.09.009] |
| 5. Zhuocheng Yao, Yuhan Yang, Yanchun Gong, Shiyi Shi, Yunying Ge, Weiliang Zeng, Deyi Zhao, Jianming Cao, Tieli Zhou, Mo Shen. (2025) The ecological security risks of bronopol: a focus on antibiotic resistance gene dissemination. Frontiers in Microbiology, [PMID:40693145] [10.3389/fmicb.2025.1595833] |
| 6. Jing Zhang, Jiaojiao Lang, Changjian Xue, Qiang Liu, Caixia Pei. (2025) Influence of coated cobalamin on lactation performance, nutrient digestion, and proteins related to mammary epithelial cell proliferation and milk fatty acid synthesis in dairy cows. Animal Nutrition, [PMID:41321533] [10.1016/j.aninu.2025.06.006] |
| 7. Jing Zhang, Jiaojiao Lang, Lijun Bu, Yapeng Liu, Wenjie Huo, Caixia Pei, Qiang Liu. (2025) Impacts of dietary arginine supplementation on performance, nutrient digestion and expression of proteins related to milk fatty acid and casein synthesis in early lactating dairy cows. Animal Nutrition, [PMID:40487098] [10.1016/j.aninu.2024.10.010] |