(1R,3S)-1,3-Cyclopentanedicarboxylic acid

Basic Information

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CAS Number

4056-78-4

Molecular Formula

C7H10O4

Molecular Weight

158.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

320.7°C at 760 mmHg

Density

1.396

Flash Point

161.9°C

Refractive Index

1.535

SMILES

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C1CC(CC1C(=O)O)C(=O)O

InChI

InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+

InChIKey

LNGJOYPCXLOTKL-SYDPRGILSA-N

LogP

0.5719000000000003

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

167

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Cyclopentane-1,3-dicarboxylicAcid
826-02-8
MFCD01735467
BCP10069
AS-18351
VU0510882-1
1,3-Cyclopentanedicarboxylic acid
AB86402
PB42773
Z274502046
trans-Cyclopentane-1,3-dicarboxylic acid
FT-0698391
SCHEMBL110580
ZB1688
cyclopentane-1,3-dicarboxylic acid
AKOS016303527
1,3-Cyclopentane dicarboxylic acid
DTXSID40901709
4056-78-4
HMS1659P09
SB45468
AM803857
1,3-Cyclopentanedicarboxylicacid
EN300-116552
AKOS002231961
Norcamphoric acid
CS-W002823
SY030198
F3161-0242
YSCH0061
SY197264

MDL Number

MFCD01735467

Customs Code

2917209090

FAQ

What are the physical and chemical properties of (1R,3S)-1,3-Cyclopentanedicarboxylic acid (CAS: 4056-78-4)?

(1R,3S)-1,3-Cyclopentanedicarboxylic acid is a crystalline solid with a molecular weight of approximately 146.17 g/mol. It has a solubility of about 2.5 g/L in water. This compound exhibits moderate reactivity, particularly in esterification and anhydride formation. It's stable under normal conditions but should be stored in a desiccator to prevent moisture absorption.

How is (1R,3S)-1,3-Cyclopentanedicarboxylic acid (CAS: 4056-78-4) typically synthesized?

(1R,3S)-1,3-Cyclopentanedicarboxylic acid can be synthesized through the cyclization of 1,3-cyclopentanedione. This is often achieved using a base like sodium hydroxide in a suitable solvent such as water. The reaction typically yields a high selectivity for the (1R,3S) configuration and a good overall yield, around 70-80%.

What industries use (1R,3S)-1,3-Cyclopentanedicarboxylic acid (CAS: 4056-78-4)?

(1R,3S)-1,3-Cyclopentanedicarboxylic acid finds applications in various industries, including pharmaceuticals for the production of certain polymers and as a chemical intermediate. It's also used in the manufacturing of sensors and semiconductors due to its unique structural features.

What precautions should be taken when handling (1R,3S)-1,3-Cyclopentanedicarboxylic acid (CAS: 4056-78-4)?

When handling (1R,3S)-1,3-Cyclopentanedicarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store it in a cool, dry place away from moisture and flammable materials. In case of a spill, use appropriate absorbent materials and consult a Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for disposal instructions. Always ensure good ventilation in the work area.