| Identification | More | [Name]
1,1-Cyclobutanedicarboxylic acid | [CAS]
5445-51-2 | [Synonyms]
1,1-CYCLOBUTANEDICARBOXYLIC ACID
CYCLOBUTANE-1,1-DICARBOXYLIC ACID
Cyclobutane-1,1-DicarboxylicAcid,>98%
1,1-cyclobutanedicarboxylic
Cyclobutane-1,1-dicarboxylic
1,1-Cyclobutanedicarboxylic acid 99%
1,1-Dicarboxycyclobutane | [EINECS(EC#)]
226-651-2 | [Molecular Formula]
C6H8O4 | [MDL Number]
MFCD00001325 | [Molecular Weight]
144.13 | [MOL File]
5445-51-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white fine crystalline powder | [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) | [form ]
Fine Crystalline Powder | [pka]
pK1:3.13 ;pK2:5.88 (25°C) | [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]
5445-51-2(EPA Substance) |
| Questions And Answer | Back Directory | [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.
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| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
GU1335000 | [Hazard Note ]
Corrosive | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29172000 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
white fine crystalline powder | [Application]
1,1-Cyclobutanedicarboxylic acid(5445-51-2) 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)).
| [Definition]
ChEBI: Cyclobutane-1,1-dicarboxylic acid is a cyclobutanedicarboxylic acid. It is a conjugate acid of a cyclobutane-1,1-dicarboxylate(1-). |
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