3,5-Dichlorobenzaldehyde - ≥97% , CAS No.10203-08-4

CAS: 10203-08-4 Cat. No.: D100637 Peso molecular: 175.01 Beilstein Registry Number: 2040553 Número EC: 233-499-0

GRADE & PURITY ≥97%

Synonyms

NSC109095 | NSC-109095 | 2,6-DICHLORO-4-BENZALDEHYDE | D2012 | 3,5-Dichlorobenzaldehyde | 3,5-Dichloro-benzaldehyde | FT-0658215 | W-108891 | Z452409804 | 3,5-dichlorobezaldehyde | NSC 109095 | InChI=1/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4 | MFCD00003352

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Descripción general

3,5-Dichlorobenzaldehyde was used as starting reagent during synthesis of β-aryl-β-amino acid enantiomers. It was used in the synthesis of dichlorophenylpyruvic acid.

Specifications

Sinónimos

NSC109095 | NSC-109095 | 2, 6-DICHLORO-4-BENZALDEHYDE | D2012 | 3, 5-Dichlorobenzaldehyde | 3, 5-Dichloro-benzaldehyde | FT-0658215 | W-108891 | Z452409804 | 3, 5-dichlorobezaldehyde | NSC 109095 | InChI=1/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4 | MFCD00003352

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Cool

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504753543
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753543
• Sonrisas canónicas: C1=C(C=C(C=C1Cl)Cl)C=O
• IUPAC Name: 3,5-dichlorobenzaldehyde
• InChIKey: CASRSOJWLARCRX-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
• Isómeros SMILES: C1=C(C=C(C=C1Cl)Cl)C=O
• WGK Alemania: 3
• Peso molecular: 175.01
• Beilstein: 2040553
• Reaxy-Rn: 2040553
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040553&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 Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Aryl halide - Aryl chloride - 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 215°C/7mmHg
• Punto de fusión (°C): 62-66°C
• Peso molecular: 175.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.964 Da
• Monoisotopic Mass: 173.964 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 117.000
• 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