ChemicalBook--->CAS DataBase List--->5445-51-2

5445-51-2

5445-51-2 Structure

5445-51-2 Structure
IdentificationMore
[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 PropertiesBack 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 AnswerBack 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.
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
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
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29172000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bromine-->Sodium Methoxide-->Sodium ethoxide-->1-Bromo-3-chloropropane-->Diethyl azodicarboxylate
[Preparation Products]

ENLOPLATIN-->Carboplatin-->ZENIPLATIN-->Cyclobutanecarboxylic acid-->Diethyl 1,1-cyclobutanedicarboxylate-->2-azaspiro[3.3]heptane-->Cyclobutanecarbonitrile-->Cyclobutanecarbonyl chloride-->Cyclobutanemethanol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,1-Cyclobutanedicarboxylic acid(5445-51-2).msds
Hazard InformationBack 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-).
Spectrum DetailBack Directory
[Spectrum Detail]

1,1-Cyclobutanedicarboxylic acid(5445-51-2)1HNMR
1,1-Cyclobutanedicarboxylic acid(5445-51-2)13CNMR
1,1-Cyclobutanedicarboxylic acid(5445-51-2)IR1
1,1-Cyclobutanedicarboxylic acid(5445-51-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,1-Cyclobutanedicarboxylic acid, 99%(5445-51-2)
[Alfa Aesar]

1,1-Cyclobutanedicarboxylic acid, 99%(5445-51-2)
[Sigma Aldrich]

5445-51-2(sigmaaldrich)
[TCI AMERICA]

1,1-Cyclobutanedicarboxylic Acid,>98.0%(T)(5445-51-2)
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