N-Bromophthalimide - ≥95% , CAS No.2439-85-2

CAS: 2439-85-2 Cat. No.: N137544 Formula: C₈H₄BrNO₂ Peso molecolare: 226.03 Beilstein Registry Number: 21501 Numero EC: 219-467-9

GRADE & PURITY ≥95%

Synonyms

DTXSID70179136 | MFCD00005888 | NSC3525 | NSC-3525 | EINECS 219-467-9 | J-015498 | NSC 3525 | 2-bromoisoindole-1,3-dione | SCHEMBL1771 | A817278 | AI3-18212 | UNII-8EC67S8PWW | FT-0634283 | N-Bromophthalimide | 2-Bromoisoindoline-1,3-dione | 2-bromo-1h-is

Storage

Protected from light,Room temperature

Shipped In

Normal

Panoramica

Application：

N-Bromophthalimide has been used:

as reagent in allylic amination reactions of alkenes

brominating reagent in enantioselective synthesis of multisubstituted biaryl derivatives by chiral phosphoric acid catalyzed asymmetric bromination

as a titrant in titrimetric determination of isoniazid in pure form or in tablets

Specifications

Sinonimi

DTXSID70179136 | MFCD00005888 | NSC3525 | NSC-3525 | EINECS 219-467-9 | J-015498 | NSC 3525 | 2-bromoisoindole-1,3-dione | SCHEMBL1771 | A817278 | AI3-18212 | UNII-8EC67S8PWW | FT-0634283 | N-Bromophthalimide | 2-Bromoisoindoline-1,3-dione | 2-bromo-1h-is

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488185125

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185125

Sorrisi canonici

C1=CC=C2C(=C1)C(=O)N(C2=O)Br

IUPAC Name

2-bromoisoindole-1,3-dione

InChIKey

MARXMDRWROUXMD-UHFFFAOYSA-N

INCHI

1S/C8H4BrNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H

Isomeri SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)Br

WGK Germania

3

Peso molecolare

226.03

Beilstein

21501

Reaxy-Rn

131211

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131211&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Benzenoids Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light & Moisture sensitive
• Punto di fusione (°C): 207 °C
• Peso molecolare: 226.030 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.943 Da
• Monoisotopic Mass: 224.943 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 217.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2439-85-2, the molecular formula is C8H4BrNO2, and the molecular weight is 226.03 g/mol. InChIKey MARXMDRWROUXMD-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.