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

CAS: 85342-65-0 Cat. No.: H401609 분자식: C₈HCl₄NO₃ 분자량: 300.9 EC 번호: 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

개요

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

Specifications

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

Pubchem Sid

488189285

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

분자량

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO (Slightly), Methanol (Slightly)
• 감도: Moisture&Heat sensitive
• 녹는점(°C): 254 °C
• 분자량: 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

자주 묻는 질문

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.