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

CAS: 85342-65-0 Cat. No.: H401609 分子式: C₈HCl₄NO₃ 分子量: 300.9 EC番号: 878-685-8

グレード＆純度 ≥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

概要

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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488189285

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488189285

カノニカル・スマイル

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

異性体SMILES

C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)N(C2=O)O

分子量

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
    • 分類 Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMSO (Slightly), Methanol (Slightly)
• 感度: Moisture&Heat sensitive
• 融点（°C）: 254 °C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 85342-65-0, the molecular formula is C8HCl4NO3, and the molecular weight is 300.9 g/mol. InChIKey UTRBHXSKVVPTLY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.