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224,000+ 研究の概要 · Triple ISO certified · COA & SDS すべての製品に適用 · 在庫品は当日出荷

INF 39 - ≥98% , CAS No.866028-26-4

Name: INF 39 - ≥98% , CAS No.866028-26-4
SKU: I287944
Availability: InStock

CAS: 866028-26-4 Cat. No.: I287944 分子式: C₁₂H₁₃ClO₂ 分子量: 224.68

COA

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INF 39 - ≥98% CAS No(866028-26-4) by Aladdin Scientific

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注文可能

GRADE & PURITY ≥98%

Synonyms

Ethyl 2-(2-chlorobenzyl)acrylate | Chloro-α-methylene-benzenepropanoic acid ethyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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よくある質問と記事ソリューション計算機レビュー

🧪

Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語

Ethyl 2-(2-chlorobenzyl)acrylate | Chloro-α-methylene-benzenepropanoic acid ethyl ester

仕様と純度

≥98%

生化学的・生理学的メカニズム

Irreversible NLRP3 inhibitor (exhibits 52% inhibition of NLRP3 ATPase at 100 μM). Inhibits IL-1β release, caspase activation and pyroptosis in THP-1 cells. Reduces inflammation in a rat colitis model. Exhibits low cytotoxicity.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド	504771955
パブケム・シド・ウル	https://pubchem.ncbi.nlm.nih.gov/substance/504771955
カノニカル・スマイル	CCOC(=O)C(=C)CC1=CC=CC=C1Cl
IUPAC Name	ethyl 2-[(2-chlorophenyl)methyl]prop-2-enoate
InChIKey	VTAOWWAFBSFWSG-UHFFFAOYSA-N
INCHI	1S/C12H13ClO2/c1-3-15-12(14)9(2)8-10-6-4-5-7-11(10)13/h4-7H,2-3,8H2,1H3
異性体SMILES	CCOC(=O)C(=C)CC1=CC=CC=C1Cl
分子量	224.68
Reaxy-Rn	14461718
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14461718&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

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Fatty acid esters Aryl chlorides Enoate esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Fatty acid ester - Aryl chloride - Aryl halide - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

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レビュー

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Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.

Lot Number	Certificate Type	日付	商品
K22181076	Certificate of Analysis	Aug 27, 2022	I287944
K2218477	Certificate of Analysis	Aug 27, 2022	I287944
K2218599	Certificate of Analysis	Aug 27, 2022	I287944
K2218883	Certificate of Analysis	Aug 27, 2022	I287944

溶解度	Soluble in DMSO (supplied pre-dissolved in DMSO, 10(mg/mL))
分子量	224.680 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	224.06 Da
Monoisotopic Mass	224.06 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	238.000
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