1,1-Cyclobutanedicarboxylic acid

Basic Information

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CAS Number

5445-51-2

Molecular Formula

C6H8O4

Molecular Weight

144.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

158 °C

Boiling Point

222.71°C (rough estimate)

Flash Point

189.6±19.7 °C

Refractive Index

1.5800 (estimate)

Vapor Pressure

0.0±1.8 mmHg at 25°C

SMILES

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C1CC(C1)(C(=O)O)C(=O)O

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

LogP

0.32589999999999975

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

164

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

CS-D1152
1,1-Cyclobutanedicarboxylic acid
InChI=1/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10
PD159595
FT-0606076
CHEBI:35691
NSC-22073
PV866VZU2U
CHEMBL1162546
HMS3370K21
NSC22073
DTXSID2063892
AC-27694
1,1-Cyclobutanedicarboxylicacid
1,1-dicarboxycyclobutane
Cyclobutane-1,1-dicarboxylicacid
A7909
EINECS 226-651-2
Carboplatin Impurity B (Cyclobutane-1,1-dicarboxylic acid)
NS00044937
UNII-PV866VZU2U
SMR000857344
Cyclobutane-1,1-dicarboxylic acid, 99%
1,1-Cyclobutanedicarboxylate
MLS001336051
PB43025
Q27116567
AKOS000546081
1-CARBOXYCYCLOBUTANECARBOXYLIC ACID
C-9000
HMS2233C03

MDL Number

MFCD00001325

Customs Code

29172000

FAQ

What is 1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2)?

1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2) is a cyclic dicarboxylic acid with the chemical formula C4H6O4. It is a white crystalline solid, known for its acidic properties and ability to form esters and salts. This compound is commonly used in organic synthesis due to its versatile reactivity and stability under standard conditions.

What are the main uses of 1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2)?

1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2) finds applications in pharmaceuticals as a building block for drug development, in industrial processes for polymer production, and in research for creating functional materials. It is also used as a food additive to regulate pH and as a precursor in the synthesis of various organic compounds, including pharmaceutical intermediates and coatings.

Is 1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2) safe?

1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2) is generally considered safe when handled properly, but it may cause skin or eye irritation. Safety data sheets (SDS) recommend using appropriate protective equipment, such as gloves and goggles, and avoiding inhalation or contact with skin. It is classified as a low-toxicity compound under standard exposure conditions, though long-term effects require further study.

How should 1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2) be stored?

1,1-Cyclobutanedicarboxylic acid (CAS: 5445-51-2) should be stored in a cool, dry place, away from direct light and moisture. Keep in a sealed container made of glass or HDPE to prevent contamination. Ensure storage areas are well-ventilated and avoid exposure to incompatible materials. Proper storage maintains its stability and prevents degradation over time.