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CAS Number: 204905-77-1
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde

Structure

2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
Synonyms:
General Information
Product Number: 204905771

CAS Registry Number 204905-77-1
Name:
Thieno[3,​4-​b]​-​1,​4-​dioxin-​5-​carboxaldehyde, 2,​3-​dihydro-
2,3-Dihydrothieno[3,4-b]-1,4-dioxine-5-carbaldehyde
2-Formyl-3,4-ethylenedioxythiophene
3,4-Ethylenedioxythienyl-2-carbaldehyde
3,4-Ethylenedioxythiophene-2-carbaldehyde

 

Chemical Formula: C7H6O3S
Exact Mass: 170.00
Molecular Weight: 170.19
m/z: 170.00 (100.0%), 171.01 (7.8%), 172.00 (4.5%)

 

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

InChI Key:GNVXYRDVJKJZTO-UHFFFAOYSA-N

Canonical SMILES:C1COC2=C(SC=C2O1)C=O

 

Thermal Properties Value Condition Note
Melting Point 155 °C   (7)CAS
Melting Point 145-146 °C   (2)CAS
Melting Point 142-142.5 °C Solv: methanol (67-56-1) (5)CAS
Melting Point 142 °C   (3)CAS
Melting Point 127-129 °C Solv: methanol (67-56-1) (8)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Firstenberg, Michal; Advanced Functional Materials 2011, V21(4), P634-643 CAPLUS
  2. (2) Jessing, Mikkel; Journal of Organic Chemistry 2006, V71(18), P6734-6741 CAPLUS
  3. (3) Grucela-Zajac, Marzena; Journal of Physical Chemistry C 2014, V118(24), P13070-13086 CAPLUS
  4. (5) Lygaitis, Ramunas; Journal of Photochemistry and Photobiology, A: Chemistry 2006, V181(1), P67-72 CAPLUS
  5. (7) Abashev, G. G.; Russian Journal of Applied Chemistry 2010, V83(8), P1435-1439 CAPLUS
  6. (8) Thompson, Barry C.; Journal of the American Chemical Society 2006, V128(39), P12714-12725 CAPLUS
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