3,4-Ethylenedioxythiophene(EDOT) - electronic grade, ≥99.9%, Moisture content ≤ 0.1% , CAS No.126213-50-1

CAS: 126213-50-1 Cat. No.: E1520163 Formula: C₆H₆O₂S Molecular Weight: 142.18 EC Number: 603-128-0

GRADE & PURITY Electronic grade, ≥99.9%, Moisture content ≤ 0.1%

Synonyms

2,3-Dihydrothieno[3,4-b][1,4]dioxine

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2,3-Dihydrothieno[3,4-b][1,4]dioxine

Specifications & Purity

electronic grade, ≥99.9%, Moisture content ≤ 0.1%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Electronic grade

Purity

≥99.9%

Names and Identifiers

Canonical Smiles

C1COC2=CSC=C2O1

IUPAC Name

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

InChIKey

GKWLILHTTGWKLQ-UHFFFAOYSA-N

INCHI

1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2

Isomeric SMILES

C1COC2=CSC=C2O1

WGK Germany

2

UN Number

2810

Molecular Weight

142.18

Reaxy-Rn

7126466

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7126466&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Para dioxins Thiophenes Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Para-dioxin - Heteroaromatic compound - Thiophene - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water
• Sensitivity: Heat Sensitive;Moisture sensitive
• x_refractive_index: 1.58
• x_flash_point_drop_fahrenheit: 219℉
• x_flash_point_drop_centigrade: 104°C
• x_boil_point_char: 112°C/20mmHg
• x_melt_point_char: 10 °C
• Molecular Weight: 142.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 142.009 Da
• Monoisotopic Mass: 142.009 Da
• Topological Polar Surface Area: 46.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.200
• 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