Methyl (E)-3-fluorocinnamate - ≥98% , CAS No.74325-03-4

CAS: 74325-03-4 Cat. No.: M186371 分子式: C₁₀H₉FO₂ 分子量: 180.2 EC番号: 813-380-5

GRADE & PURITY ≥98%

Synonyms

74325-03-4|(e)-methyl 3-(3-fluorophenyl)acrylate|methyl (e)-3-fluorocinnamate|methyl (2E)-3-(3-fluorophenyl)prop-2-enoate|methyl (E)-3-(3-fluorophenyl)prop-2-enoate|METHYL(E)-3-FLUOROCINNAMATE|Methyl 3-fluorocinnamate|Methyl 3-(3-fluorophenyl)acrylate|met

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

74325-03-4 | (e)-methyl 3-(3-fluorophenyl)acrylate | methyl (e)-3-fluorocinnamate | methyl (2E)-3-(3-fluorophenyl)prop-2-enoate | methyl (E)-3-(3-fluorophenyl)prop-2-enoate | METHYL(E)-3-FLUOROCINNAMATE | Methyl 3-fluorocinnamate | Methyl 3-(3-fluorophenyl)acrylate | met

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• カノニカル・スマイル: COC(=O)C=CC1=CC(=CC=C1)F
• IUPAC Name: methyl (E)-3-(3-fluorophenyl)prop-2-enoate
• InChIKey: FLDMXKIURVHYKV-AATRIKPKSA-N
• INCHI: 1S/C10H9FO2/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-7H,1H3/b6-5+
• 異性体SMILES: COC(=O)/C=C/C1=CC(=CC=C1)F
• 分子量: 180.2
• Reaxy-Rn: 4982747
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4982747&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: Styrenes Fluorobenzenes Fatty acid esters Aryl fluorides Methyl esters Enoate esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid ester - Styrene - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organofluoride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
• 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: 180.170 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.059 Da
• Monoisotopic Mass: 180.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 201.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 74325-03-4, the molecular formula is C10H9FO2, and the molecular weight is 180.2 g/mol. InChIKey FLDMXKIURVHYKV-AATRIKPKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.