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Basic Description
| Synonyms | BNPD | BNPK | 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 | B |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
| Product Description |
Usually used to develop a rapid bacterial toxicity test for detecting disinfectant residues released by disinfected materials,and also used in rapid analysis of bromine-containing preservatives by ultra performance liquid chromatography coupled with inductively coupled plasma mass spectrometry. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic 1,3-dipolar compounds
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Class
Allyl-type 1,3-dipolar organic compounds
- Subclass Organic nitro compounds
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Class
Allyl-type 1,3-dipolar organic compounds
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Superclass
Organic 1,3-dipolar compounds
| 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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Associated Targets(Human)
VDR
Tclin
Vitamin D receptor (26531 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
THRB
Tclin
Thyroid hormone receptor beta-1 (7926 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RXRA
Tclin
Retinoid X receptor alpha (3637 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ABCC2
Tchem
Canalicular multispecific organic anion transporter 1 (1191 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ABCB11
Tchem
Bile salt export pump (2311 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
EHMT2
Tchem
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ABCC3
Tbio
Canalicular multispecific organic anion transporter 2 (718 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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LMNA
Tbio
Prelamin-A/C (36751 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PMP22
Tbio
Peripheral myelin protein 22 (699 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ABCC4
Tchem
Multidrug resistance-associated protein 4 (785 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GLS
Tchem
Glutaminase kidney isoform, mitochondrial (16997 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Hdac6
Histone deacetylase 6 (222 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GCN5
Histone acetyltransferase GCN5 (89 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Luciferin 4-monooxygenase (66902 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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pfk
6-phospho-1-fructokinase (7870 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ddn
Putative uncharacterized protein (49 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nr1i2
Nuclear receptor subfamily 1 group I member 2 (14 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504750568 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750568 |
| IUPAC Name | 2-bromo-2-nitropropane-1,3-diol |
| INCHI | InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2 |
| InChIKey | LVDKZNITIUWNER-UHFFFAOYSA-N |
| Smiles | C(C(CO)([N+](=O)[O-])Br)O |
| 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= |
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.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2430145 |
Certificate of Analysis | Nov 11, 2024 | B114888 |
| G2422523 |
Certificate of Analysis | Jul 30, 2024 | B114888 |
| F2519225 |
Certificate of Analysis | Jul 29, 2024 | B114888 |
| F2519226 |
Certificate of Analysis | Jul 29, 2024 | B114888 |
| F2519284 |
Certificate of Analysis | Jul 29, 2024 | B114888 |
| G2222160 |
Certificate of Analysis | Apr 07, 2024 | B114888 |
| G2222103 |
Certificate of Analysis | Apr 07, 2024 | B114888 |
| A2205453 |
Certificate of Analysis | Oct 13, 2023 | B114888 |
| B2302897 |
Certificate of Analysis | Feb 07, 2023 | B114888 |
| L2325039 |
Certificate of Analysis | Jun 07, 2022 | B114888 |
| G2222161 |
Certificate of Analysis | Jun 07, 2022 | B114888 |
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Chemical and Physical Properties
| Solubility | Soluble in water(280g/L). |
|---|---|
| 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 |
Citations of This Product
| 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, 1710 (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). |
| 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, 19 (8): ( 630–642). |
| 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, 238 (193). |
| 5. C Lv,J Hou,W Xie,H Cheng. (2015-02-24) Investigation on formaldehyde release from preservatives in cosmetics.. International journal of cosmetic science, 37 ((5)): (474-478). |
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