2,5-Dimethyl-1,4-benzenedicarbaldehyde - ≥98% , CAS No.7044-92-0

CAS: 7044-92-0 Cat. No.: D304447 Peso molecular: 162.18 Número EC: 852-426-9

GRADE & PURITY ≥98%

Synonyms

AS-77559 | YSZC490 | 3,6-Dimethylterephthalaldehyde | AKOS003617034 | SCHEMBL2884919 | 2,5-DIMETHYLBENZENE-1,4-DICARBALDEHYDE | EN300-21888 | 2,5-Dimethylterephthalaldehyde | Terephthalaldehyde, 2,5-dimethyl- | 2,5-dimethyl-1,4-benzenedicarboxaldehyde | A

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

AS-77559 | YSZC490 | 3, 6-Dimethylterephthalaldehyde | AKOS003617034 | SCHEMBL2884919 | 2, 5-DIMETHYLBENZENE-1, 4-DICARBALDEHYDE | EN300-21888 | 2, 5-Dimethylterephthalaldehyde | Terephthalaldehyde, 2, 5-dimethyl- | 2, 5-dimethyl-1, 4-benzenedicarboxaldehyde | A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759433
• Sonrisas canónicas: CC1=CC(=C(C=C1C=O)C)C=O
• IUPAC Name: 2,5-dimethylterephthalaldehyde
• InChIKey: AIBJDPZNCNFKMR-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-6H,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1C=O)C)C=O
• Peso molecular: 162.18
• Reaxy-Rn: 2206954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206954&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: p-Xylenes Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Xylene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Peso molecular: 162.180 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• 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

Referencias

1. Hongyi Chen, Qiming Liu, Shiyue Cao.  (2023)  Carbon-coated iron selenide derived from double-framework as an advance anode for Na-ion battery.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:37532598] [10.1016/j.jcis.2023.07.126]