3,4-Ethylenedioxythiophene-2-carboxaldehyde - ≥98% , CAS No.204905-77-1

CAS: 204905-77-1 Cat. No.: E156117 Formule: C₇H₆O₃S Poids moléculaire: 170.18

GRADE & PURITY ≥98%

Synonyms

J-507023 | F8880-7230 | BP-10372 | BCP17568 | SY050784 | 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carboxaldehyde | 2-formyl-3,4-ethylene dioxythiophene | AKOS006227729 | AMY42344 | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde | 3,4-ethylenedioxythiop

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

J-507023 | F8880-7230 | BP-10372 | BCP17568 | SY050784 | 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carboxaldehyde | 2-formyl-3,4-ethylene dioxythiophene | AKOS006227729 | AMY42344 | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde | 3,4-ethylenedioxythiop

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504762606

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762606

Sourires canoniques

C1COC2=C(SC=C2O1)C=O

IUPAC Name

2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde

InChIKey

GNVXYRDVJKJZTO-UHFFFAOYSA-N

INCHI

1S/C7H6O3S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h3-4H,1-2H2

Isomères SMILES

C1COC2=C(SC=C2O1)C=O

Poids moléculaire

170.18

Reaxy-Rn

8254513

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8254513&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Aryl-aldehydes Para dioxins Thiophenes Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-aldehyde - Alkyl aryl ether - Para-dioxin - Heteroaromatic compound - Thiophene - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Point de fusion (°C): 141 °C
• Poids moléculaire: 170.190 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.004 Da
• Monoisotopic Mass: 170.004 Da
• Topological Polar Surface Area: 63.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• 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

Foire aux questions

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 204905-77-1, the molecular formula is C7H6O3S, and the molecular weight is 170.18 g/mol. InChIKey GNVXYRDVJKJZTO-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.