1571-20-6

Basic information

• Product Name: 3,4,5,6-tetrachloro-N-dodecylphthalimide
• Synonyms: 3,4,5,6-tetrachloro-N-dodecylphthalimide;4,5,6,7-Tetrachloro-2-dodecyl-1H-isoindole-1,3(2H)-dione;N-Dodecyl-3,4,5,6-tetrachlorophthalimide
• CAS NO: 1571-20-6
• Molecular Formula: C₂₀H₂₅Cl₄NO₂
• Molecular Weight: 453.23
• EINECS: 216-387-6
• Mol File: 1571-20-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 540.4°Cat760mmHg
• Flash Point: 280.6°C
• Appearance: /
• Density: 1.283g/cm³
• Vapor Pressure: 9.57E-12mmHg at 25°C
• Refractive Index: 1.552
• CAS DataBase Reference: 3,4,5,6-tetrachloro-N-dodecylphthalimide(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5,6-tetrachloro-N-dodecylphthalimide(1571-20-6)
• EPA Substance Registry System: 3,4,5,6-tetrachloro-N-dodecylphthalimide(1571-20-6)

Safety Data

• Hazardous Substances Data: 1571-20-6(Hazardous Substances Data)

Usage

General Description

3,4,5,6-tetrachloro-N-dodecylphthalimide is a chemical compound that belongs to the phthalimide family. It is defined by its structure, which includes four chlorine atoms bound to the benzene ring and a dodecyl group attached to the nitrogen atom. This chemical is commonly used as an intermediate in the production of various chemicals, including dyes, pesticides, and pharmaceuticals. It is also used as a corrosion inhibitor in industrial applications. Additionally, 3,4,5,6-tetrachloro-N-dodecylphthalimide is known for its high toxicity and potential to cause skin and eye irritation, making it important to handle with caution and appropriate protective measures.

InChI:InChI=1/C20H25Cl4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-25-19(26)13-14(20(25)27)16(22)18(24)17(23)15(13)21/h2-12H2,1H3

Upstream product

• 124-22-1 n-Dodecylamine 
• 117-08-8 tetrachlorophthalic anhydride 

Relevant articles and documents

Spectroscopic properties of N-n-butyltetrachlorophthalimide and supramolecular interactions in its crystals

A number of N-n-alkyltetrachlorophthalimides has been synthesized and N-n-butyltetrachlorophthalimide has been characterized by X-ray diffraction, FT-IR and NMR spectroscopy. Also B3LYP and DFT calculations have been carried out. The optimized bond lengths, bond angles and torsion angles calculated by B3LYP/6-31G(d,p) approach have been compared with the X-ray data. The screening constants for 13C and 1H atoms have been calculated by the GIAO/B3LYP/6-31G(d,p) approach and analyzed. Linear correlations between the experimental 1H and 13C chemical shifts and the computed screening constants have been obtained which confirm the optimized geometry. In the supramolecular structure halogen bonds and intermolecular Cl?Cl interactions have been found as the main driving force which connects molecules into centrosymmetric tapes and planar sheets.