Bronopol - analytical standard , CAS No.52-51-7

CAS: 52-51-7 Cat. No.: B114887 Molecular Weight: 199.99 Beilstein Registry Number: 1705868 EC Number: 200-143-0
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
AMY8948 | 2-Nitro-2-bromo-1,3-propanediol | Bronocot | .beta.-Bromo-.beta.-nitrotrimethyleneglycol | BNPK | Bronosol | EINECS 200-143-0 | Q2462902 | MFCD00007390 | SR-01000944249 | AST Inc. PRO-4 BARRIER TEAT DIP | Bioban | AB01563195_01 | Bioban BNPD-40
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
250mg
B114887-250mg
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$116.90

$158.90
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AMY8948 | 2-Nitro-2-bromo-1, 3-propanediol | Bronocot | .beta.-Bromo-.beta.-nitrotrimethyleneglycol | BNPK | Bronosol | EINECS 200-143-0 | Q2462902 | MFCD00007390 | SR-01000944249 | AST Inc. PRO-4 BARRIER TEAT DIP | Bioban | AB01563195_01 | Bioban BNPD-40
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC(C(CO)([N+](=O)[O-])Br)O
IUPAC Name2-bromo-2-nitropropane-1,3-diol
InChIKeyLVDKZNITIUWNER-UHFFFAOYSA-N
INCHI1S/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=

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic 1,3-dipolar compounds
ClassAllyl-type 1,3-dipolar organic compounds
SubclassOrganic nitro compounds
Intermediate Tree Nodes Not available
Direct ParentC-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 FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ddn Putative uncharacterized protein (49 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
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 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.

1 results found

Lot NumberCertificate TypeDateItem
H1230030Certificate of AnalysisMar 09, 2023 B114887
Chemical and Physical Properties
Flash Point(°C)167°C
Melt Point(°C)130-133°C
Molecular Weight199.990 g/mol
XLogP3-0.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass198.948 Da
Monoisotopic Mass198.948 Da
Topological Polar Surface Area86.300 Ų
Heavy Atom Count9
Formal Charge0
Complexity107.000
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 Count1
Documents & Articles
Citations of This Product
References
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]
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