Propargyl methacrylate - ≥97%, containing stabilizer , CAS No.13861-22-8

CAS: 13861-22-8 Cat. No.: P345175 分子式: C₇H₈O₂ 分子量: 124.14 EC番号: 237-599-5 PubChem CID: 83778

GRADE & PURITY ≥97%, containing stabilizer

Synonyms

FT-0636972 | SCHEMBL194435 | prop-2-yn-1-yl 2-methylprop-2-enoate | prop-2-ynyl 2-methylprop-2-enoate | 2-Propynyl methacrylate | Methacrylic acid propargyl ester | AKOS006229392 | EINECS 237-599-5 | Prop-2-ynyl methacrylate | DTXSID8065666 | Propargyl me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

FT-0636972 | SCHEMBL194435 | prop-2-yn-1-yl 2-methylprop-2-enoate | prop-2-ynyl 2-methylprop-2-enoate | 2-Propynyl methacrylate | Methacrylic acid propargyl ester | AKOS006229392 | EINECS 237-599-5 | Prop-2-ynyl methacrylate | DTXSID8065666 | Propargyl me

仕様と純度

≥97%, containing stabilizer

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。

純度

≥97%

名前と識別子

• パブケム・シド: 504755724
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755724
• カノニカル・スマイル: CC(=C)C(=O)OCC#C
• IUPAC Name: prop-2-ynyl 2-methylprop-2-enoate
• InChIKey: PZAWASVJOPLHCJ-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2/c1-4-5-9-7(8)6(2)3/h1H,2,5H2,3H3
• 異性体SMILES: CC(=C)C(=O)OCC#C
• PubChem CID: 83778
• UN番号: 3272
• 包装グループ: III
• 分子量: 124.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Acetylide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• External Descriptors: Not available

Data sources

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

化学的性質と物理的性質

• 引火点（°C）: 48°C
• 沸点（°C）: 149-151° C
• 分子量: 124.140 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 171.000
• 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

参考文献

1. Jinhao Yan, Haoqi Wang, Xueqin Zhao, Longxiang Tao, Xuefu Wang, Jun Yin.  (2024)  Polymorphic Supramolecular Therapeutic Platforms with Precise Dye/Drug Ratio to Perform Synergistic Chemo-Photo Anti-Tumor Therapy and Long-Term Immune Protection.  Advanced Healthcare Materials,      [PMID:39375970] [10.1002/adhm.202402907]