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

CAS: 5779-93-1 Cat. No.: D122616 Formula: (CH₃)₂C₆H₃CHO Peso molecolare: 134.18 Beilstein Registry Number: 7(4)705 Numero 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

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488183243
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183243
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=C(C(=CC=C1)C=O)C
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility：Chloroform, Methanol
• Sensibilità: Air sensitive
• Indice di rifrazione: 1.553
• Punto di infiammabilità (°F): 102°C(Lit.)
• Punto di infiammabilità (°C): 102°C(Lit.)
• Punto di ebollizione (°C): 110°C/20mmHg
• Peso molecolare: 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

Riferimenti

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]