3,6-Dibromophthalic Anhydride - ≥98% , CAS No.25834-16-6

CAS: 25834-16-6 Cat. No.: D155688 Peso molecular: 305.91 Número EC: 811-003-9

GRADE & PURITY ≥98%

Synonyms

4,7-Dibromoisobenzofuran-1,3-dione | T70674 | 4,7-DIBROMO-2-BENZOFURAN-1,3-DIONE | 3,6-Dibromophthalic Anhydride | 3,6-dibromo-phthalic anhydride | AS-59756 | SCHEMBL855646 | 4,7-dibromo-1,3-dihydro-2-benzofuran-1,3-dione | 1,3-Isobenzofurandione, 4,7-dib

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4, 7-Dibromoisobenzofuran-1, 3-dione | T70674 | 4, 7-DIBROMO-2-BENZOFURAN-1, 3-DIONE | 3, 6-Dibromophthalic Anhydride | 3, 6-dibromo-phthalic anhydride | AS-59756 | SCHEMBL855646 | 4, 7-dibromo-1, 3-dihydro-2-benzofuran-1, 3-dione | 1, 3-Isobenzofurandione, 4, 7-dib

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504771307
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771307
• Sonrisas canónicas: C1=CC(=C2C(=C1Br)C(=O)OC2=O)Br
• IUPAC Name: 4,7-dibromo-2-benzofuran-1,3-dione
• InChIKey: OUAOHMOFJGFOSR-UHFFFAOYSA-N
• INCHI: 1S/C8H2Br2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
• Isómeros SMILES: C1=CC(=C2C(=C1Br)C(=O)OC2=O)Br
• Peso molecular: 305.91
• Reaxy-Rn: 164698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalic anhydrides
• Alternative Parents: Isobenzofuranones Dicarboxylic acids and derivatives Benzenoids Aryl bromides Vinylogous halides Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Aryl halide - Aryl bromide - Vinylogous halide - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Punto de fusión (°C): 209 °C
• Peso molecular: 305.910 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 305.835 Da
• Monoisotopic Mass: 303.837 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 240.000
• 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