(E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid | CAS No. 899809-64-4

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

Basic Information

CAS Number

899809-64-4

Molecular Formula

C9H11NO4

Molecular Weight

197.19 g/mol

AD

Basic Physical Properties

Boiling Point

415.8°C at 760 mmHg

C1CC(CC(=C1)C=CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H11NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h2,4-5,8H,1,3,6H2,(H,11,12)/b5-4+

InChIKey

PEYXGOWSKLZBEO-SNAWJCMRSA-N

LogP

1.90600

Complexity

300

Safety Information

View Safety Information

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

Synonyms & References

English

  • (E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid
  • (E)-3-(5-nitrocyclohexen-1-yl)prop-2-enoic acid
  • 2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (2E)-
  • I14-8081
  • (E)-3-(5-nitrocyclohex-1-en-1-yl)acrylicacid
  • (2E)-3-(5-Nitro-1-cyclohexen-1-yl)-2-propenoic acid
  • 3-(5-nitrocyclohex-1-enyl)acrylic acid
  • OR350479
  • AX8249810
  • (2E)-3-(5-nitrocyclohex-1-enyl)acrylic acid
  • (2E)-3-(5-Nitrocyclohex-1-en-1-yl)prop-2-enoic acid
  • (2E)-3-(5-Nitro-1-cyclohexen-1-yl)-2-propenoic acid (ACI)
  • (2E)-3-(5-nitrocyclohex-1-en-1-yl)prop-2-enoic acid
  • AKOS015918295
  • LS-13629
  • CS-0068804
  • F17855
  • A1-03407
  • DS-5708
  • AC-30216
  • 899809-64-4
  • DTXSID10657928
  • MFCD16877199
  • SCHEMBL2286986
  • ZKB80964

MDL Number

MFCD16877199

FAQ

What are the physical and chemical properties of (E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid (CAS: 899809-64-4)?

(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.

How is (E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid (CAS: 899809-64-4) typically synthesized?

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.

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

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.

What precautions should be taken when handling (E)-3-(5-Nitrocyclohex-1-en-1-yl)acrylic acid (CAS: 899809-64-4)?

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.

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