3,6-Dichlorophthalic anhydride - ≥98% , CAS No.4466-59-5

CAS: 4466-59-5 Cat. No.: D170411 Peso molecular: 217.01 Número EC: 224-733-2

GRADE & PURITY ≥98%

Synonyms

3,6-Dichlorophthalic anhydride, 98% | 4,7-Dichloroisobenzofuran-1,3-dione | EINECS 224-733-2 | SY102062 | 3,5-bis(chlorosulfonyl)benzoyl chloride;4,7-Dichloroisobenzofuran-1,3-dione | HEGLMCPFDADCAQ-UHFFFAOYSA-N | 3,6-Dichlorophthalic anhydride | 3,6-Dich

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

3, 6-Dichlorophthalic anhydride, 98% | 4, 7-Dichloroisobenzofuran-1, 3-dione | EINECS 224-733-2 | SY102062 | 3, 5-bis(chlorosulfonyl)benzoyl chloride;4, 7-Dichloroisobenzofuran-1, 3-dione | HEGLMCPFDADCAQ-UHFFFAOYSA-N | 3, 6-Dichlorophthalic anhydride | 3, 6-Dich

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185537
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185537
• Sonrisas canónicas: C1=CC(=C2C(=C1Cl)C(=O)OC2=O)Cl
• IUPAC Name: 4,7-dichloro-2-benzofuran-1,3-dione
• InChIKey: HEGLMCPFDADCAQ-UHFFFAOYSA-N
• INCHI: 1S/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
• Isómeros SMILES: C1=CC(=C2C(=C1Cl)C(=O)OC2=O)Cl
• Peso molecular: 217.01
• Reaxy-Rn: 164697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164697&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 chlorides Vinylogous halides Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Vinylogous halide - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organooxygen 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 188-190 °C (lit.)
• Peso molecular: 217.000 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 215.938 Da
• Monoisotopic Mass: 215.938 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