N-Hydroxytetrachlorophthalimide - ≥98% , CAS No.85342-65-0

CAS: 85342-65-0 Cat. No.: H401609 Molecular Weight: 300.9 EC Number: 878-685-8

GRADE & PURITY ≥98%

Synonyms

4,5,6,7-Tetrachloro-2-hydroxyisoindoline-1,3-dione | TCNHPI | 3,4,5,6-Tetrachloro-N-hydroxyphthalimide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

N-Hydroxytetrachlorophthalimide is used in the photoinduced decarboxylative borylation of redox-activated aryl N-hydroxyphthalimide esters to give aryl boronic esters.

Specifications

Synonyms

4, 5, 6, 7-Tetrachloro-2-hydroxyisoindoline-1, 3-dione | TCNHPI | 3, 4, 5, 6-Tetrachloro-N-hydroxyphthalimide

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189285
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189285
• Canonical Smiles: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)N(C2=O)O
• IUPAC Name: 4,5,6,7-tetrachloro-2-hydroxyisoindole-1,3-dione
• InChIKey: UTRBHXSKVVPTLY-UHFFFAOYSA-N
• INCHI: 1S/C8HCl4NO3/c9-3-1-2(4(10)6(12)5(3)11)8(15)13(16)7(1)14/h16H
• Isomeric SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)N(C2=O)O
• Molecular Weight: 300.9
• Reaxy-Rn: 236019
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=236019&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Benzenoids Aryl chlorides Vinylogous halides Hydroxamic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Aryl chloride - Aryl halide - Benzenoid - Vinylogous halide - Hydroxamic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Sensitivity: Moisture&Heat sensitive
• Melt Point(°C): 254 °C
• Molecular Weight: 300.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 300.868 Da
• Monoisotopic Mass: 298.871 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 320.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1