2,3-Dimethylbenzaldehyde - ≥97% , CAS No.5779-93-1

CAS: 5779-93-1 Cat. No.: D122616 Fórmula: (CH₃)₂C₆H₃CHO Peso molecular: 134.18 Beilstein Registry Number: 7(4)705 Número EC: 611-577-9

GRADE & PURITY ≥97%

Synonyms

PS-5803 | SY004732 | A21260 | AKOS009075841 | Dimethylformylbenzene | DTXSID901346389 | DIMETHYLBENZALDEHYDE | SCHEMBL29444 | Hemellitaldehyde | FT-0601221 | UIFVCPMLQXKEEU-UHFFFAOYSA-N | xylene-formaldehyde | AC-3263 | 2,3-Dimethylbenzaldehyde | 2,3-dime

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

PS-5803 | SY004732 | A21260 | AKOS009075841 | Dimethylformylbenzene | DTXSID901346389 | DIMETHYLBENZALDEHYDE | SCHEMBL29444 | Hemellitaldehyde | FT-0601221 | UIFVCPMLQXKEEU-UHFFFAOYSA-N | xylene-formaldehyde | AC-3263 | 2,3-Dimethylbenzaldehyde | 2,3-dime

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488183243
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183243
• Sonrisas canónicas: CC1=C(C(=CC=C1)C=O)C
• IUPAC Name: 2,3-dimethylbenzaldehyde
• InChIKey: UIFVCPMLQXKEEU-UHFFFAOYSA-N
• INCHI: 1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3
• Isómeros SMILES: CC1=C(C(=CC=C1)C=O)C
• WGK Alemania: 3
• Peso molecular: 134.18
• Beilstein: 7(4)705
• Reaxy-Rn: 2238677
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2238677&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: o-Xylenes Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-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

• Solubilidad: Solubility：Chloroform, Methanol
• Sensibilidad: Air sensitive
• Índice de refracción: 1.553
• Punto de inflamación (°F): 102°C(Lit.)
• Punto de inflamación (°C): 102°C(Lit.)
• Punto de ebullición (°C): 110°C/20mmHg
• Peso molecular: 134.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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. Hong Tu, Bihong Tian, Zhichao Zhao, Renjiang Guo, Ya Wang, Shunhong Chen, Jian Wu.  (2025)  Research on the influence of g-C3N4 microstructure changes on the efficiency of visible light photocatalytic degradation.  Water Research X,      [PMID:40028192] [10.1016/j.wroa.2025.100315]