Thiacloprid - analytical standard , CAS No.111988-49-9

CAS: 111988-49-9 Cat. No.: T114779 Molecular Weight: 252.72 EC Number: 601-147-9 PubChem CID: 115224
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
Thiacloprid | BDBM50251868 | NCGC00164441-02 | N-(3-((6-Chloropyridin-3-yl)methyl)thiazolidin-2-ylidene)cyanamide | NCGC00164441-03 | (Z)-3-(6-chloro-3-pyridylmethyl)-1,3-thiazolidin-2-ylidenecyanamide | DB08620 | Q63408702 | Tox21_300697 | [3-(6-Chloro-3
Storage
Room temperature
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100mg
T114779-100mg
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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 39 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Thiacloprid | BDBM50251868 | NCGC00164441-02 | N-(3-((6-Chloropyridin-3-yl)methyl)thiazolidin-2-ylidene)cyanamide | NCGC00164441-03 | (Z)-3-(6-chloro-3-pyridylmethyl)-1, 3-thiazolidin-2-ylidenecyanamide | DB08620 | Q63408702 | Tox21_300697 | [3-(6-Chloro-3
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Pubchem Sid504756742
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504756742
Canonical SmilesC1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
IUPAC Name[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
InChIKeyHOKKPVIRMVDYPB-UHFFFAOYSA-N
INCHI1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2
Isomeric SMILES C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
PubChem CID 115224
Molecular Weight 252.72

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 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
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassHalopyridines
Intermediate Tree Nodes Not available
Direct Parent2-halopyridines
Alternative Parents Aryl chlorides  Thiazolidines  Heteroaromatic compounds  Isothioureas  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Imines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-halopyridine - Aryl chloride - Aryl halide - Thiazolidine - Heteroaromatic compound - Isothiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
External Descriptors nitrile - thiazolidines - monochloropyridine
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA4 Tclin Neuronal acetylcholine receptor protein alpha-4 subunit (1265 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA1 Tclin Acetylcholine receptor protein alpha chain (98 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA3 Tclin Neuronal acetylcholine receptor subunit alpha-3 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AOX1 Tchem Aldehyde oxidase (429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Zea mays (820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Glycine max (342 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Periplaneta americana (513 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Musca domestica (713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Myzus persicae (1112 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA4 Neuronal acetylcholine receptor subunit alpha-4 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acetylcholine-binding protein (240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aphis gossypii (526 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bemisia tabaci (599 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gossypium hirsutum (233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vitis vinifera (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Soluble acetylcholine receptor (39 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
obp3 Odorant-binding protein 3 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
nAChRbeta2 Acetylcholine receptor subunit beta-like 2 (115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Frankliniella occidentalis (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Galendromus occidentalis (74 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cheumatopsyche (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Daphnia magna (43 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.

2 results found

Lot NumberCertificate TypeDateItem
L2319174Certificate of AnalysisSep 09, 2025 T114779
B2314715Certificate of AnalysisDec 20, 2022 T114779
Chemical and Physical Properties
Molecular Weight252.720 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass252.024 Da
Monoisotopic Mass252.024 Da
Topological Polar Surface Area77.600 Ų
Heavy Atom Count16
Formal Charge0
Complexity324.000
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
Citations of This Product
References
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15. Hussain Abid, Pu Hongbin, Sun Da-Wen.  (2020)  Cysteamine modified core-shell nanoparticles for rapid assessment of oxamyl and thiacloprid pesticides in milk using SERS.  Journal of Food Measurement and Characterization,  14  (4): (2021-2029).  [PMID:] [10.1007/s11694-020-00448-7]
16. Zhiwei Wang, Junhui Chen, Tianrong Zhan, Xiuping He, Baodong Wang.  (2019)  Simultaneous determination of eight neonicotinoid insecticides, fipronil and its three transformation products in sediments by continuous solvent extraction coupled with liquid chromatography-tandem mass spectrometry.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:31825794] [10.1016/j.ecoenv.2019.110002]
17. Yang Guo, Erzhuo Zhao, Jun Wang, Xiaoyuan Zhang, Haiou Huang, Gang Yu, Yujue Wang.  (2019)  Comparison of emerging contaminant abatement by conventional ozonation, catalytic ozonation, O3/H2O2 and electro-peroxone processes.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31836369] [10.1016/j.jhazmat.2019.121829]
18. Ding Hui, Wang Rongyu, Liu Wei, Cheng Supan, Ji Wenhua, Zheng Zhenjia, Wang Xiao.  (2019)  A spherical metal-organic coordination polymer for the microextraction of neonicotinoid insecticides prior to their determination by HPLC.  MICROCHIMICA ACTA,  186  (2): (1-8).  [PMID:30637512] [10.1007/s00604-018-3210-y]
19. Tehseen Yaseen, Hongbin Pu, Da-Wen Sun.  (2018)  Fabrication of silver-coated gold nanoparticles to simultaneously detect multi-class insecticide residues in peach with SERS technique.  TALANTA,      [PMID:30683402] [10.1016/j.talanta.2018.12.030]
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22. Hui Ouyang, Limin Wang, Shijia Yang, Wenwen Wang, Lin Wang, Fengquan Liu, Zhifeng Fu.  (2015)  Chemiluminescence Reaction Kinetics-Resolved Multianalyte Immunoassay Strategy Using a Bispecific Monoclonal Antibody as the Unique Recognition Reagent.  ANALYTICAL CHEMISTRY,      [PMID:25622025] [10.1021/ac5045093]
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