1,1-Cyclobutanedicarboxylic acid Chemical Properties

Melting point:

158 °C(lit.)

Boiling point:

222.71°C (rough estimate)

Density 

1.3217 (rough estimate)

refractive index 

1.5800 (estimate)

storage temp. 

Store below +30°C.

solubility 

DMSO (Slightly), Methanol (Slightly)

pka

pK1:3.13 ;pK2:5.88 (25°C)

form 

Fine Crystalline Powder

color 

White

BRN 

2046031

InChI

InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)

InChIKey

CCQPAEQGAVNNIA-UHFFFAOYSA-N

SMILES

C1(C(O)=O)(C(O)=O)CCC1

CAS DataBase Reference

5445-51-2(CAS DataBase Reference)

NIST Chemistry Reference

1,1-Cyclobutanedicarboxylic acid(5445-51-2)

EPA Substance Registry System

1,1-Cyclobutanedicarboxylic acid (5445-51-2)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45-28A

RIDADR 

UN 3261 8/PG 2

WGK Germany 

3

Hazard Note 

Corrosive

TSCA 

T

HazardClass 

8

PackingGroup 

III

HS Code 

29172000

MSDS

• Language:English Provider:1,1-Cyclobutanedicarboxylic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1,1-Cyclobutanedicarboxylic acid Usage And Synthesis

Uses

1,1-Cyclobutanedicarboxylic Acid(5445-51-2) is used in the design, studies and structural model of antitumor dicycloplatin a clinical cancer drug. Hydrolysis mechanism of second-generation anticancer drug carboplatin.

Chemical Properties

white fine crystalline powder

Definition

ChEBI: Cyclobutane-1,1-dicarboxylic acid is a cyclobutanedicarboxylic acid. It is a conjugate acid of a cyclobutane-1,1-dicarboxylate(1-).

Application

1,1-Cyclobutanedicarboxylic acid can be used as:
A reactant to synthesize lithium coordination polymer by treating with lithium carbonate.
A ligand to prepare various lanthanide metal-organic frameworks (LnMOFs) via a solvothermal method. Eu+3 based MOF is applicable as a selective chemical sensor for detecting CH3OH due to its high luminescence quantum yield.
It can also be used as a starting material in the synthesis of carboplatin (cis-diammine(1,1-cyclobutanedicarboxyl-ate)platinum(II)).

1,1-Cyclobutanedicarboxylic acid(5445-51-2)Related Product Information

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• OXALIC ACID