CAS 93951-16-7

Ethyl 3-(chlorocarbonyl)-5-nitrobenzoate

Description:

Ethyl 3-(chlorocarbonyl)-5-nitrobenzoate, with the CAS number 93951-16-7, is an organic compound characterized by its ester functional group and the presence of both a nitro and a chlorocarbonyl substituent on the aromatic ring. This compound typically appears as a yellow to brown solid or liquid, depending on its purity and specific conditions. It is soluble in organic solvents such as dichloromethane and ethyl acetate but has limited solubility in water. The presence of the nitro group contributes to its electron-withdrawing properties, which can influence its reactivity in various chemical reactions, such as nucleophilic substitutions or coupling reactions. The chlorocarbonyl group enhances its electrophilicity, making it a potential intermediate in the synthesis of more complex organic molecules. Due to its functional groups, this compound may exhibit biological activity, and thus, it should be handled with care, following appropriate safety protocols to mitigate any potential hazards associated with its use.

Formula: C₁₀H₈ClNO₅

InChI: InChI=1S/C10H8ClNO5/c1-2-17-10(14)7-3-6(9(11)13)4-8(5-7)12(15)16/h3-5H,2H2,1H3

InChI key: InChIKey=ILPBPWRYTWVDGD-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(C(Cl)=O)=CC(N(=O)=O)=C1

Synonyms:

• Ethyl 3-(chlorocarbonyl)-5-nitrobenzoate
• 3-Chlorocarbonyl-5-nitro-benzoic acid ethyl ester
• Benzoic acid, 3-(chlorocarbonyl)-5-nitro-, ethyl ester