CAS 438219-78-4

4-[(4-Chloro-2-nitrophenoxy)methyl]benzoic acid

Description:

4-[(4-Chloro-2-nitrophenoxy)methyl]benzoic acid, with the CAS number 438219-78-4, is a chemical compound characterized by its aromatic structure and functional groups. It features a benzoic acid moiety, which contributes to its acidity and potential reactivity. The presence of a chloro group and a nitro group on the phenyl ring indicates that it may exhibit unique electronic properties, influencing its reactivity and interactions with other molecules. This compound is likely to be a solid at room temperature, given its structural characteristics, and may be soluble in organic solvents. Its applications could span various fields, including pharmaceuticals, agrochemicals, or materials science, depending on its specific properties and reactivity. The presence of halogen and nitro substituents suggests potential for further chemical modifications, making it a versatile intermediate in synthetic chemistry. Safety and handling precautions should be observed due to the presence of chlorine and nitro groups, which can impart toxicity and environmental concerns.

Formula: C₁₄H₁₀ClNO₅

InChI: InChI=1S/C14H10ClNO5/c15-11-5-6-13(12(7-11)16(19)20)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H,17,18)

InChI key: InChIKey=VCUCJKGNGZHZDB-UHFFFAOYSA-N

SMILES: O(CC1=CC=C(C(O)=O)C=C1)C2=C(N(=O)=O)C=C(Cl)C=C2

Synonyms:

• Benzoic acid, 4-[(4-chloro-2-nitrophenoxy)methyl]-
• 4-[(4-Chloro-2-nitrophenoxy)methyl]benzoic acid

4-[(4-Chloro-2-nitrophenoxy)methyl]benzoic acid

CAS: 438219-78-4

Versatile small molecule scaffold

Formula: C₁₄H₁₀ClNO₅

Purity: Min. 95%

Molecular weight: 307.68 g/mol

Ref: 3D-NSA21978