1,1-Cyclobutanedicarboxylic acid , 99% , 5445-51-2

CAS NO.：5445-51-2

Update time: 2022-07-08

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)

Cyclobutane-1,1-dicarboxylic 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)).

Symbol(GHS)	GHS05
Signal word	Danger
Hazard statements	H314
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE	Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes	C
Risk Statements	34
Safety Statements	26-36/37/39-45-28A
RIDADR	UN 3261 8/PG 2
WGK Germany	3
RTECS	GU1335000
Hazard Note	Corrosive
TSCA	TSCA listed
HazardClass	8
PackingGroup	III
HS Code	29172000
Storage Class	8A - Combustible corrosive hazardous materials
Hazard Classifications	Skin Corr. 1B
Limited Quantities	1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities	Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)