3,4-Diethoxy-3-cyclobutene-1,2-dione

Basic Information

View in Editor

CAS Number

5231-87-8

Molecular Formula

C8H10O4

Molecular Weight

170.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

95 °C/0.1 mmHg

Refractive Index

n20/D 1.509(lit.)

SMILES

View in Editor

CCOC1=C(C(=O)C1=O)OCC

InChI

InChI=1S/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3

InChIKey

DFSFLZCLKYZYRD-UHFFFAOYSA-N

LogP

0.07999999999999985

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

226

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Synonyms & References

English

3,4-diethoxycyclobut-3-ene-1,2-dione;Diethyl squarate
3,4-Diethoxy-cyclobut-3-ene-1,2-dione
3,4-diethoxy-3-cyclobuten-1,2-dion
InChI=1/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3
Diethyl squarate
CS-W004755
AM20100287
PS-4470
SY013529
3,4,-diethoxy-3-cyclobutene-1,2-dione
DFSFLZCLKYZYRD-UHFFFAOYSA-
3.4-diethoxy-3-cyclobutene-1,2-dione
Squaric acid diethyl ester
A829027
BP-13098
MFCD00001333
3,4-Diethoxy-3-cyclobutene-1,2-dione, 98%
FT-0600794
3,4-diethoxy-3-cyclobuten-1,2-dione
AKOS015905438
DTXSID30200334
3,4-diethoxycyclobut-3-ene-1,2-dione
1,2-diethoxycyclobutene-3,4-dione
diethoxycyclobut-3-ene-1,2-dione
3-Cyclobutene-1,2-dione, 3,4-diethoxy-
3 pound not4-Diethoxy-3-cyclobutene-1 pound not2-dione
EN300-215540
SCHEMBL94221
AC-22926
1,2-diethoxycyclobutenedione
J-511148

MDL Number

MFCD00001333

FAQ

What is 3,4-Diethoxy-3-cyclobutene-1,2-dione (CAS: 5231-87-8)?

3,4-Diethoxy-3-cyclobutene-1,2-dione, also known as 3,4-diethoxy-3-cyclobutene-1,2-dione, is a cyclic organic compound with the CAS number 5231-87-8. It is a colorless or white crystalline solid with a molecular formula of C10H12O4 and a molecular weight of approximately 196.23. It is characterized by its stability and reactivity in organic synthesis and as a starting material for the preparation of other compounds.

What are the main uses of 3,4-Diethoxy-3-cyclobutene-1,2-dione (CAS: 5231-87-8)?

3,4-Diethoxy-3-cyclobutene-1,2-dione is primarily used in the pharmaceutical and chemical industries as a precursor in the synthesis of other organic compounds. It is also employed in the production of dyes and pigments, and as a reagent in organic chemistry for various reactions such as Friedel-Crafts alkylation and alkenylation.

Is 3,4-Diethoxy-3-cyclobutene-1,2-dione (CAS: 5231-87-8) safe?

3,4-Diethoxy-3-cyclobutene-1,2-dione is generally considered safe for use under proper handling conditions. However, it is important to take necessary precautions, including the use of personal protective equipment such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. Avoid contact with water and oxidizing agents to prevent decomposition or other hazardous reactions.

How should 3,4-Diethoxy-3-cyclobutene-1,2-dione (CAS: 5231-87-8) be stored?

3,4-Diethoxy-3-cyclobutene-1,2-dione should be stored in a cool, dry place, preferably in a desiccator to prevent moisture absorption. It should be kept away from direct sunlight and heat sources to maintain its stability. The compound should be stored in a tightly sealed container made of appropriate materials to prevent contact with air and moisture. It is advisable to avoid storing it with oxidizing agents to minimize the risk of adverse reactions.