(E)-Methyl 3-iodoacrylate - ≥97% , CAS No.6213-88-3

CAS: 6213-88-3 Cat. No.: E589680 分子式: C₄H₅IO₂ 分子量: 211.99 EC番号: 834-557-3

GRADE & PURITY ≥97%

Synonyms

(E)-3-iodo-acrylic acid methyl ester | EN300-1703689 | trans Methyl 3-iodo-2-propenoate | 3-Iodopropenoic acid methyl ester | MFCD11519163 | Methyl (E)-3-iodoacrylate | C4H5IO2 | SCHEMBL4215921 | J-502608 | methyl (E)-3-iodoprop-2-enoate | METHYL (2E)-3-I

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

同義語

(E)-3-iodo-acrylic acid methyl ester | EN300-1703689 | trans Methyl 3-iodo-2-propenoate | 3-Iodopropenoic acid methyl ester | MFCD11519163 | Methyl (E)-3-iodoacrylate | C4H5IO2 | SCHEMBL4215921 | J-502608 | methyl (E)-3-iodoprop-2-enoate | METHYL (2E)-3-I

仕様と純度

≥97%

保管条件

Store at 2-8°C,Protected from light,Desiccated

入荷

Wet ice

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: 508806606
• カノニカル・スマイル: COC(=O)C=CI
• IUPAC Name: methyl (E)-3-iodoprop-2-enoate
• InChIKey: SUQXOFVGKSUSSM-NSCUHMNNSA-N
• INCHI: 1S/C4H5IO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2+
• 異性体SMILES: COC(=O)/C=C/I
• 分子量: 211.99
• Reaxy-Rn: 2322633
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2322633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acids and derivatives
• Alternative Parents: Vinylogous halides Methyl esters Enoate esters Vinyl iodides Monocarboxylic acids and derivatives Iodoalkenes Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid or derivatives - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Vinyl halide - Vinyl iodide - Iodoalkene - Haloalkene - Carbonyl group - Organooxygen compound - Organoiodide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.
• 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

• 分子量: 211.990 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.933 Da
• Monoisotopic Mass: 211.933 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1