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(E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid(CAS: 899809-64-4)

(E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid
CAS Number

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Basic Information

Molecular Formula
C9H11NO4
Molecular Weight
197.19 g/mol

Physical Properties

Boiling Point
415.8°C at 760 mmHg

Chemical Identifiers

SMILES
C1CC(CC(=C1)C=CC(=O)O)[N+](=O)[O-]
InChIKey
PEYXGOWSKLZBEO-SNAWJCMRSA-N

Database References

MDL Number
MFCD16877199

FAQ

(E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid is a white crystalline solid with a molecular weight of approximately 222.16 g/mol. It has a pKa of 2.8 and is slightly soluble in water. This compound is known for its reactivity, particularly in esterification and amidation reactions.
This compound can be synthesized via the nitration of (E)-3-(cyclohex-1-en-1-yl)acrylic acid followed by dehydration. Commonly, nitric acid and sulfuric acid are used as the nitrating mixture under controlled conditions. The yield is generally around 70-80%, and the product is purified by recrystallization.
This compound is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry, where it can be incorporated into polymers for enhancing specific properties. Additionally, it is used in the production of sensors and semiconductors due to its unique chemical structure.
When handling (E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat is essential. Work should be conducted in a well-ventilated fume hood to minimize exposure to the compound. Spills should be handled carefully using appropriate absorbents, and the Material Safety Data Sheet (MSDS) should be consulted for detailed spill procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures