3-チオフェン酢酸エチル - ≥98% , CAS No.37784-63-7

CAS: 37784-63-7 Cat. No.: E170003 分子式: C₈H₁₀O₂S 分子量: 170.23

GRADE & PURITY ≥98%

Synonyms

ethyl 2-(thiophen-3-yl)acetate | SCHEMBL359468 | 3-thiophenyl acetic acid ethyl ester | EINECS 253-665-6 | EN300-264208 | ethyl 2-thiophen-3-ylacetate | BIDD:GT0101 | Ethyl 3-thienylacetate # | CHEBI:194787 | Ethyl 2-(3-thienyl)ethanoate | 3-Thiopheneacet

Storage

室温

Shipped In

ノーマル

Specifications

同義語

ethyl 2-(thiophen-3-yl)acetate | SCHEMBL359468 | 3-thiophenyl acetic acid ethyl ester | EINECS 253-665-6 | EN300-264208 | ethyl 2-thiophen-3-ylacetate | BIDD:GT0101 | Ethyl 3-thienylacetate # | CHEBI:194787 | Ethyl 2-(3-thienyl)ethanoate | 3-Thiopheneacet

仕様と純度

≥98%

保管条件

室温

入荷

ノーマル

純度

≥98%

名前と識別子

パブケム・シド

488190081

カノニカル・スマイル

CCOC(=O)CC1=CSC=C1

IUPAC Name

ethyl 2-thiophen-3-ylacetate

InChIKey

FZBNQIWPYCUPAP-UHFFFAOYSA-N

INCHI

1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3

異性体SMILES

CCOC(=O)CC1=CSC=C1

WGKドイツ

3

分子量

170.23

Reaxy-Rn

122555

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122555&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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（°F）: 217.4 °F
• 引火点（°C）: 103 °C
• 分子量: 170.230 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 170.04 Da
• Monoisotopic Mass: 170.04 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

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 37784-63-7, the molecular formula is C8H10O2S, and the molecular weight is 170.23 g/mol. InChIKey FZBNQIWPYCUPAP-UHFFFAOYSA-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.