2,5-dichloroterephthalaldehyde - ≥97% , CAS No.46052-84-0

CAS: 46052-84-0 Cat. No.: B300262 Peso molecular: 203.02

GRADE & PURITY ≥97%

Synonyms

SCHEMBL3134002 | 2,5-Dichloroterephthalaldehyde | 1,4-Benzenedicarboxaldehyde,2,5-dichloro- | YSZC493 | DTXSID00345988 | 2,5-Dichloro-benzene-1,4-dicarbaldehyde | 2,5-dichlorobenzene-1,4-dicarbaldehyde | 2,5-dichloro-1,4-benzenedicarboxaldehyde | 1,4-Benz

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL3134002 | 2, 5-Dichloroterephthalaldehyde | 1, 4-Benzenedicarboxaldehyde, 2, 5-dichloro- | YSZC493 | DTXSID00345988 | 2, 5-Dichloro-benzene-1, 4-dicarbaldehyde | 2, 5-dichlorobenzene-1, 4-dicarbaldehyde | 2, 5-dichloro-1, 4-benzenedicarboxaldehyde | 1, 4-Benz

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C(=CC(=C1Cl)C=O)Cl)C=O
• IUPAC Name: 2,5-dichloroterephthalaldehyde
• InChIKey: XBCGIUJJUZHWMC-UHFFFAOYSA-N
• INCHI: 1S/C8H4Cl2O2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-4H
• Isómeros SMILES: C1=C(C(=CC(=C1Cl)C=O)Cl)C=O
• Peso molecular: 203.02
• Reaxy-Rn: 3247348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3247348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzoyl derivatives Benzaldehydes Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Aryl halide - Aryl chloride - Vinylogous halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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: air sensitive
• Peso molecular: 203.020 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.959 Da
• Monoisotopic Mass: 201.959 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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