CAS 13544-06-4: 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile

Description: 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile, with the CAS number 13544-06-4, is an organic compound characterized by its aromatic structure, which includes a nitro group and a trifluoromethyl group attached to a benzene ring. This compound typically exhibits a pale yellow to light brown appearance and is known for its relatively low solubility in water, while being more soluble in organic solvents. The presence of the nitro group contributes to its electron-withdrawing properties, influencing its reactivity and making it a useful intermediate in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. The trifluoromethyl group enhances the compound's lipophilicity and can significantly affect its biological activity. Additionally, 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile may exhibit moderate toxicity, necessitating careful handling and appropriate safety measures during its use in laboratory or industrial settings. Its unique combination of functional groups makes it a valuable compound in synthetic organic chemistry.

Formula: C₉H₅F₃N₂O₂

InChI: InChI=1S/C9H5F3N2O2/c10-9(11,12)7-2-1-6(3-4-13)8(5-7)14(15)16/h1-2,5H,3H2

InChI key: InChIKey=CSRSFUABKGQLSY-UHFFFAOYSA-N

SMILES: N#CCC1=CC=C(C=C1N(=O)=O)C(F)(F)F

Synonyms:

• 4-Trifluoromethyl-2-nitrobenzeneacetonitrile
• 2-Nitro-4-(trifluoromethyl)benzeneacetonitrile
• Benzeneacetonitrile, 2-nitro-4-(trifluoromethyl)-
• Acetonitrile, (α,α,α-trifluoro-2-nitro-p-tolyl)-
• (2-Nitro-4-trifluoromethylphenyl)acetonitrile

2-(2-Nitro-4-(trifluoromethyl)phenyl)acetonitrile

CAS: 13544-06-4

• Formula: C₉H₅F₃N₂O₂
• Purity: 97%
• Color and Shape: Solid
• Molecular weight: 230.14340959999993

2-Nitro-4-(trifluoromethyl)phenylacetonitrile

CAS: 13544-06-4

• Formula: C₉H₅F₃N₂O₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 230.14g/mol

2-Nitro-4-(trifluoromethyl)phenylacetonitrile

CAS: 13544-06-4

• Purity: 98.0%
• Color and Shape: Solid
• Molecular weight: 230.14599609375

2-Nitro-4-(Trifluoromethyl)-Benzeneacetonitrile

CAS: 13544-06-4

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• Formula: C₉H₅F₃N₂O₂
• Purity: Min. 95%
• Molecular weight: 230.14 g/mol