CAS 7500-86-9

2,4,6-Trinitrobenzoyl chloride

Description:

2,4,6-Trinitrobenzoyl chloride, with the CAS number 7500-86-9, is a chemical compound characterized by its structure, which includes a benzene ring substituted with three nitro groups and a benzoyl chloride functional group. This compound is typically a yellow to orange solid and is known for its reactivity, particularly due to the presence of the highly electronegative nitro groups, which enhance its electrophilic properties. It is used primarily in organic synthesis, particularly in the preparation of various derivatives and as an intermediate in the production of dyes and pharmaceuticals. The compound is sensitive to moisture and can hydrolyze to form the corresponding acid, making it important to handle it under anhydrous conditions. Additionally, 2,4,6-Trinitrobenzoyl chloride is considered hazardous, requiring appropriate safety measures during handling due to its potential toxicity and reactivity. Proper storage and disposal protocols are essential to mitigate risks associated with this compound.

Formula: C₇H₂ClN₃O₇

InChI: InChI=1S/C7H2ClN3O7/c8-7(12)6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2H

InChI key: InChIKey=MWGGWCCALVNFPN-UHFFFAOYSA-N

SMILES: C(Cl)(=O)C1=C(N(=O)=O)C=C(N(=O)=O)C=C1N(=O)=O

Synonyms:

• Trinitrobenzoyl chloride
• 2,4,6-Trinitrobenzoyl chloride
• Benzoyl chloride, 2,4,6-trinitro-
• NSC 408026