CAS 402-54-0

4-Nitrobenzotrifluoride

Description:

4-Nitrobenzotrifluoride, with the CAS number 402-54-0, is an aromatic compound characterized by the presence of a nitro group and three fluorine atoms attached to a benzene ring. This compound features a trifluoromethyl group (-CF3) and a nitro group (-NO2) positioned para to each other on the benzene ring, which significantly influences its chemical properties and reactivity. It is typically a colorless to pale yellow liquid with a distinctive odor. 4-Nitrobenzotrifluoride is known for its use as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, owing to its electrophilic nature. The presence of the nitro group enhances its reactivity, making it useful in nucleophilic substitution reactions. Additionally, the trifluoromethyl group contributes to its lipophilicity and stability under various conditions. Safety precautions are necessary when handling this compound, as it may pose health risks, including potential toxicity and environmental hazards. Proper storage and disposal methods should be followed to mitigate any risks associated with its use.

Formula: C₇H₄F₃NO₂

InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H

InChI key: InChIKey=XKYLCLMYQDFGKO-UHFFFAOYSA-N

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

Synonyms:

• 1-(Dichloromethyl)-3-Fluorobenzene
• 1-Nitro-4-(trifluoromethyl)benzene
• 4-(Trifluoromethyl)-1-nitrobenzene
• 4-(Trifluoromethyl)nitrobenzene
• 4-Nitro(trifluoromethyl)benzene
• 4-Nitro-1-(trifluoromethyl)benzene
• 4-Nitro-alpha,alpha,alpha-trifluorotoluene~4-(Trifluoromethyl)nitrobenzene
• 4-Nitrobenzotrifluoride
• Benzene, 1-nitro-4-(trifluoromethyl)-
• NSC 159121
• Nitrobenzotrifluorides
• Toluene, 4-nitro-alpha,alpha,alpha-trifluoro-
• Toluene, α,α,α-trifluoro-p-nitro-
• p-(Trifluoromethyl)nitrobenzene
• p-Nitro(trifluoromethyl)benzene
• p-Nitrobenzotrifluoride

4-Nitrobenzotrifluoride

CAS: 402-54-0

Formula: C₇H₄F₃NO₂

Purity: >98.0%(GC)

Color and Shape: Light yellow to Brown powder to lump

Molecular weight: 191.11

Ref: 3B-N0902

4-Nitrobenzotrifluoride, 98%

CAS: 402-54-0

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₄F₃NO₂

Purity: 98%

Color and Shape: Pale yellow to yellow, Crystals or powder or crystalline powder or lumps or fused solid

Molecular weight: 191.11

Ref: 02-L15766

Benzene, 1-nitro-4-(trifluoromethyl)-

CAS: 402-54-0

Formula: C₇H₄F₃NO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 191.1074

Ref: IN-DA00I7W6

4-Nitrobenzotrifluoride

CAS: 402-54-0

4-Nitrobenzotrifluoride

Formula: C₇H₄F₃NO₂

Purity: 98%

Color and Shape: colourless to faint yellow crystals

Molecular weight: 191.10736g/mol

Ref: 54-PC5252

4-Nitrobenzotrifluoride

CAS: 402-54-0

Formula: C₇H₄F₃NO₂

Purity: 97%

Color and Shape: Solid

Molecular weight: 191.109

Ref: 10-F009303

4-Nitrobenzotrifluoride

CAS: 402-54-0

4-Nitrobenzotrifluoride is a chemical with the formula C6H3N3O2F3. It is a white solid that is soluble in organic solvents and insoluble in water. The compound has been used as a precursor to other compounds, including 4-nitrobenzoic acid, 4-nitrophenol, and 2,4-dinitrobenzenesulfonic acid. The nitro group of this compound can be reduced to an amine by reaction with hydroxide solution. This reaction is exothermic and produces hydrogen gas as a byproduct. Further reactions involving the nitro group can be performed in the presence of aryl chlorides or alkali metals such as potassium or sodium hydroxide. These reactions yield products that have the functional groups RNH2, RCOOH, and RN=C=O. The product of these reactions can be identified using nuclear magnetic resonance spectroscopy

Formula: C₇H₄F₃NO₂

Purity: Min. 95%

Molecular weight: 191.11 g/mol

Ref: 3D-FN97995