2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene
Product Information
Molecular Formula
C8H6O6S
Molecular Weight
230.19
Description
2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene is a monomer which is frequently used in biomedical research for the synthesis of conducting polymers. These novel materials show potential towards a range of applications in cancer therapy and drug delivery systems due to their biocompatibility.
Synonyms
3,4-ETHYLENEDIOXOTHIOPHENE-2,5-DICARBOXYLIC ACID; 2,3-Dihydro-thieno[3,4-b]-p-dioxin-5,7-dicarboxylic acid; Thieno[3,4-B]-1,4-Dioxin-5,7-DicarboxylicAcid,2,3-Dihydro-; 3,4-Ethylendioxythiophen-2,5-dicarbonsure; 2,5-Dicarboxylic acid-3,4-ethylene dioxythiophe
IUPAC Name
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
SMILES
C1COC2=C(SC(=C2O1)C(=O)O)C(=O)O
InChI
InChI=1S/C8H6O6S/c9-7(10)5-3-4(14-2-1-13-3)6(15-5)8(11)12/h1-2H2,(H,9,10)(H,11,12)
InChI Key
NWIYUAISDYJVMZ-UHFFFAOYSA-N
Boiling Point
482.6°C at 760 mmHg
Melting Point
319.5-321.2 °C
Purity
98%
Density
1.732 g/cm3
Appearance
White to Light yellow powder to crystal
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Computed Properties
XLogP3
1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
229.98850908 g/mol
Monoisotopic Mass
229.98850908 g/mol
Topological Polar Surface Area
121Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
265
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113912862-A | Samarium coordination polymer constructed by thiophenedicarboxylic acid and 1, 10-phenanthroline and preparation method thereof | 2021-11-18 |
| CN-114196031-A | Preparation method and application of POTS (plain old telephone service) super-hydrophobic modified material based on thiophene MOFs (metal-organic frameworks) | 2021-09-04 |
| CN-112778518-A | Amide-bridged organic polymer hole transport material and synthesis method and application thereof | 2020-12-30 |
| CN-112409499-A | Transparent conductive film and preparation method thereof | 2020-10-09 |
| JP-2022041899-A | Resin composition, resin film and display device | 2020-08-31 |
| JP-2022041900-A | Laminates and display devices | 2020-08-31 |
| JP-2022041901-A | Laminates and display devices | 2020-08-31 |
| WO-2022044822-A1 | Resin composition, resin film, and display device | 2020-08-31 |
| WO-2022044823-A1 | Layered body and display device | 2020-08-31 |
| WO-2022044824-A1 | Layered body and display device | 2020-08-31 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20598892 | 2010-07-15 | Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase | Bioorganic & medicinal chemistry |
