Chlormequat chloride - ≥98% , CAS No.999-81-5

CAS: 999-81-5 Cat. No.: C113520 Summenformel: C5H13Cl2N Molekulargewicht: 158.07 Beilstein Registry Number: 3563994 EG-Nummer: 213-666-4 PubChem CID: 13836
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GRADE & PURITY ≥98%
Synonyms
CCC Plant growth regulant | Chlorcholine chloride | CHLORMEQUAT CHLORIDE [HSDB] | Farmacel | 2-Chloraethyl-trimethylammoniumchlorid | 2-Chloro-N,N,N-trimethylethanaminium chloride | Barleyquat B | EINECS 213-666-4 | UNII-PPL2215L82 | Ammonium, (2-chloroet
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
5g
C113520-5g
—
Auf Lager ≥10
9,46€
25g
C113520-25g
Auf Bestellung · 8–12 Wochen
29,42€
100g
C113520-100g
—
1 Auf Lager
79,75€
500g
C113520-500g
—
3 Auf Lager
257,63€
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
CCC Plant growth regulant | Chlorcholine chloride | CHLORMEQUAT CHLORIDE [HSDB] | Farmacel | 2-Chloraethyl-trimethylammoniumchlorid | 2-Chloro-N,N,N-trimethylethanaminium chloride | Barleyquat B | EINECS 213-666-4 | UNII-PPL2215L82 | Ammonium, (2-chloroet
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid508814222
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/508814222
Kanonisches LächelnC[N+](C)(C)CCCl.[Cl-]
IUPAC Name2-chloroethyl(trimethyl)azanium;chloride
InChIKeyUHZZMRAGKVHANO-UHFFFAOYSA-M
INCHI1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
Isomere SMILES C[N+](C)(C)CCCl.[Cl-]
WGK Deutschland 3
RTECS BP5250000
PubChem CID 13836
UN-Nummer 2811
Verpackungsgruppe I
Molekulargewicht 158.07
Beilstein 3563994

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
SuperclassOrganic nitrogen compounds
KlasseOrganonitrogen compounds
SubclassQuaternary ammonium salts
Intermediate Tree Nodes Not available
Direct ParentTetraalkylammonium salts
Alternative Parents Organopnictogen compounds  Organochlorides  Organic chloride salts  Hydrocarbon derivatives  Amines  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

10 results found

Lot NumberCertificate TypeDatumArtikel
A2605091Certificate of AnalysisJan 08, 2026 C113520
L2511079Certificate of AnalysisDec 19, 2025 C113520
L2524174Certificate of AnalysisDec 19, 2025 C113520
J2115056Certificate of AnalysisJul 14, 2025 C113520
J2421302Certificate of AnalysisOct 25, 2024 C113520
D2502542Certificate of AnalysisJul 04, 2024 C113520
K2412176Certificate of AnalysisJul 04, 2024 C113520
C1915052Certificate of AnalysisJan 05, 2023 C113520
I2321021Certificate of AnalysisJan 05, 2023 C113520
K2211334Certificate of AnalysisNov 14, 2022 C113520
Chemische und physikalische Eigenschaften
LöslichkeitSolubility in water: Completely soluble; Degree of Solubility in water: 740 g/l 20 °C; Soluble in Methanol; Insoluble in Ether
EmpfindlichkeitHygroscopic
Schmelzpunkt (°C)239-243°C
Molekulargewicht158.070 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass157.043 Da
Monoisotopic Mass157.043 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.500
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 Count2
Citations of This Product
Referenzen
1. 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]
2. Shizhuang Weng, Le Tang, Mengqing Qiu, Jinghong Wang, Yehang Wu, Rui Zhu, Cong Wang, Pan Li, Wen Sha, Dong Liang.  (2023)  Surface-enhanced Raman spectroscopy charged probes under inverted superhydrophobic platform for detection of agricultural chemicals residues in rice combined with lightweight deep learning network.  ANALYTICA CHIMICA ACTA,      [PMID:37179059] [10.1016/j.aca.2023.341264]
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. Yuanxia Lv, Xiaohuan Qin, Kun Hu, Fanggui Ye, Shulin Zhao.  (2021)  Microporous hydrogen-bond organic frameworks-based SALDI-TOF MS for simultaneous enrichment and high sensitivity detection of paraquat and chlormequat.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2021.131132]
5. Qiang Fu, Jun Tang, Meng Cui, Zhong Zheng, Zhiqiang Liu, Shuying Liu.  (2015)  Development of ESI-MS-based continuous enzymatic assay for real-time monitoring of enzymatic reactions of acetylcholinesterase.  JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES,      [PMID:25875590] [10.1016/j.jchromb.2015.03.022]
6. Chengping Kang, Qianqian Xiao, Xiaoxia Wang, Wanqian Guo, Haoran Zhang, Lilan Yuan, Zhe Zhao, Weidong Hao.  (2024)  Chlormequat chloride induces hepatic steatosis by promoting mTOR/SREBP1 mediated lipogenesis via AMPK inhibition.  FOOD AND CHEMICAL TOXICOLOGY,      [PMID:38849044] [10.1016/j.fct.2024.114790]
7. Xue Ma, Mengmeng Fu, Kai Hu, Li Gao, Chenchen Song, Shusheng Zhang, Renyong Zhao, Wenjie Zhao.  (2025)  Sustainable One-Pot Synthesis of Dual-Mechanism Magnetic HCPs for Classified Extraction of Trace PAHs and Quaternary Ammonium Pesticides in Environmental Waters.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40967004] [10.1016/j.jhazmat.2025.139820]
8. Yanan Ma, Liangfang Wang, Zuozeng Cao, Hui Wang, Fu Wang, Wenying Zhu.  (2025)  SlMYC2 Mediates the JA Pathway by Responding to Chlorocholine Chloride in the Regulation of Resistance to TYLCD.  Plants-Basel,  14  (9): (1353).  [PMID:40364383] [10.3390/plants14091353]
9. Jian Yan, Xuan Yang, Tianyi Wang, Qing Yang, Kai Qi, Meiqi Dang, Mingyao Li.  (2026)  Development and Study of a Salt and Oil Tolerant Foamer System for Tight Gas Well Foam Drainage Gas Recovery.  ACS Omega,      [PMID:41908410] [10.1021/acsomega.5c13076]
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