CAS 115665-96-8

1-[(1E)-2-Nitroethenyl]-3-(trifluoromethyl)benzene

Description:

1-[(1E)-2-Nitroethenyl]-3-(trifluoromethyl)benzene, with the CAS number 115665-96-8, is an organic compound characterized by its unique functional groups and structural features. It contains a nitroethenyl group, which is a vinyl group substituted with a nitro group, indicating its potential reactivity and applications in organic synthesis. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its electronic properties, making it of interest in medicinal chemistry and materials science. This compound is typically a solid at room temperature and may exhibit moderate stability under standard conditions. Its molecular structure suggests potential applications in the development of agrochemicals, pharmaceuticals, or as an intermediate in organic synthesis. Additionally, the presence of both electron-withdrawing groups (the nitro and trifluoromethyl groups) can significantly affect its reactivity and interaction with other chemical species. Safety and handling precautions should be observed, as compounds with nitro groups can be sensitive and potentially hazardous.

Formula: C₉H₆F₃NO₂

InChI: InChI=1S/C9H6F3NO2/c10-9(11,12)8-3-1-2-7(6-8)4-5-13(14)15/h1-6H/b5-4+

InChI key: InChIKey=GOKALPUCIXWJLV-SNAWJCMRSA-N

SMILES: C(F)(F)(F)C1=CC(/C=C/N(=O)=O)=CC=C1

Synonyms:

• (E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene
• 1-(2-Nitrovinyl)-3-(Trifluoromethyl)Benzene
• 1-[(1E)-2-Nitroethenyl]-3-(trifluoromethyl)benzene
• 1-[(E)-2-Nitroethenyl]-3-(trifluoromethyl)benzene
• 1-[(E)-2-Nitrovinyl]-3-(trifluoromethyl)benzene
• Benzene, 1-(2-nitroethenyl)-3-(trifluoromethyl)-, (E)-
• Benzene, 1-[(1E)-2-nitroethenyl]-3-(trifluoromethyl)-
• trans-β-Nitro-3-(trifluoromethyl)styrene
• 3-Trifluoromethyl-β-nitrostyrene

Benzene, 1-[(1E)-2-nitroethenyl]-3-(trifluoromethyl)-

CAS: 115665-96-8

Formula: C₉H₆F₃NO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 217.1446

Ref: IN-DA000GPH

(E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene

CAS: 115665-96-8

(E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene

Purity: 97%

Molecular weight: 217.14g/mol

Ref: 54-PC201035

(E)-1-(2-Nitrovinyl)-3-(trifluoromethyl)benzene

CAS: 115665-96-8

Formula: C₉H₆F₃NO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 217.147

Ref: 10-F243691

3-Trifluoromethyl-β-nitrostyrene

Controlled Product

CAS: 115665-96-8

Applications 3-TrifluoroMethyl-β-nitrostyrene is used in biological studies for testing of electron-deficient chromenes and styrenes, nitrobenzooxadiazolyl thioethers, and other compounds as flavodoxin inhibitors for potential use as antibacterial agents selective for Helicobacter pylori and their cytotoxicities.
References Galano, J. J., et al.: J. Med. Chem., 56, 6248 (2013);

Formula: C₉H₆F₃NO₂

Color and Shape: Neat

Molecular weight: 217.14

Ref: TR-T791560