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Metconazole - analytical standard , CAS No.125116-23-6

CAS: 125116-23-6 Cat. No.: M115373 分子式: C17H22ClN3O 分子量: 319.83 EC番号: 603-031-3
10 Citations COA
Metconazole - analytical standard CAS No(125116-23-6) by Aladdin Scientific
注文可能
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
Metconazole|125116-23-6|5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol|DTXSID4034497|CHEBI:81773|Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-|Metconazole 10 microg/mL in Cycl
Storage
Room temperature
Shipped In
Normal
★
Size
USA
ドイツ (EU)*
Price
Qty
100mg
M115373-100mg
3 在庫あり
—

$246.90

$319.90
保存 $73.00 (22.82%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 Citations of This Product ソリューション計算機 レビュー
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Why this grade

analytical standard 分析用標準物質 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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Metconazole is a lipophilic and a highly active compound which is known for its application as a broad-spectrum triazole fungicide.

Specifications

同義語
Metconazole | 125116-23-6 | 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol | DTXSID4034497 | CHEBI:81773 | Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)- | Metconazole 10 microg/mL in Cycl
仕様と純度
analytical standard
保管条件
Room temperature
入荷
Normal
等級
分析用標準物質
名前と識別子
パブケム・シド
528770693
カノニカル・スマイル
CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
IUPAC Name
5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
InChIKey
XWPZUHJBOLQNMN-UHFFFAOYSA-N
INCHI
1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
異性体SMILES
CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C
UN番号
3077
分子量
319.83
Reaxy-Rn
8333708
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8333708&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
分類Prenol lipids
SubclassMonoterpenoids
Intermediate Tree Nodes Not available
Direct ParentIridoids and derivatives
Alternative Parents Monocyclic monoterpenoids  Aromatic monoterpenoids  Chlorobenzenes  Cyclopentanols  Aryl chlorides  Triazoles  Tertiary alcohols  Heteroaromatic compounds  Cyclic alcohols and derivatives  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Cyclopentanol - Benzenoid - 1,2,4-triazole - Tertiary alcohol - Azole - Cyclic alcohol - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors Conazole fungicides
3 D構造
インタラクティブ化学構造モデル





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作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
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 Type日付商品
E2124169Certificate of AnalysisJul 30, 2026 M115373
化学的性質と物理的性質
分子量319.800 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass319.145 Da
Monoisotopic Mass319.145 Da
Topological Polar Surface Area50.900 Ų
Heavy Atom Count22
Formal Charge0
Complexity384.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
How to Cite Aladdin Scientific Products? Citations Search
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