3,4-Ethylenedioxythiophene-2,5-dicarboxylic Acid

Catalog Number

ACM-MO-18361030

Product Name

3,4-Ethylenedioxythiophene-2,5-dicarboxylic Acid

Structure

CAS

18361-03-0

Category

Thiophenes

Synonyms

2,3-Dihydrothieno[3,4-b]-1,4-dioxine-5,7-dicarboxylic Acid

IUPAC Name

2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid

Molecular Weight

230.19 g/mol

Molecular Formula

C8H6O6S

Canonical 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±45.0 °C(Predicted)

Melting Point

319.5-321.2 °C

Density

1.732±0.06 g/cm3(Predicted)

Appearance

White to Light Yellow Powder to Crystal

Complexity

265

Covalently-Bonded Unit Count

1

EC Number

605-999-2

Exact Mass

229.988509g/mol

Formal Charge

0

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

7

H-Bond Donor

2

Heavy Atom Count

15

MDL Number

MFCD00966477

Monoisotopic Mass

229.988509g/mol

Physical State

Solid

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.

Rotatable Bond Count

2

Signal Word

Warning

XLogP3

1

MSDS

COA

Spec Sheet