2,3-diclorobenzaldeídos - ≥98% , CAS No.6334-18-5

CAS: 6334-18-5 Cat. No.: D109457 Fórmula: C₇H₄Cl₂O Peso molecular: 175.01 Beilstein Registry Number: 508198 Número CE: 228-711-3

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde, dichloro- | UNII-H6GN7Q4PCS | MFCD00010127 | AM62280 | Benzaldehyde,3-dichloro- | EINECS 250-492-8 | DICHLOROBENZALDEHYDE | LLMLNAVBOAMOEE-UHFFFAOYSA- | EN300-19650 | STK317882 | EINECS 228-711-3 | NSC 28450 | D1666 | A834336 | 2,3-Dichlorob

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Visão geral

o 2,3-diclorobenzaldeído é adequado para utilização na preparação de: 4-(2,3-diclorobenzilidenoamino)-1,5-dimetil-2-fenil-1H-pirazol-3(2H)-ona, base de Schiff etil 4-(2,3-diclorofenil)-1,6-dimetil-2-oxo-1,2,3,4-tetrahidropirimidina-5-carboxilato via condensação de Biginelli 4-(2,3-diclorofenil)-1,3,6-trimetil-2-oxo-1,2,3,4-tetrahidropirimidina-5-carboxilato de benzilo

Specifications

Sinónimos

Benzaldehyde, dichloro- | UNII-H6GN7Q4PCS | MFCD00010127 | AM62280 | Benzaldehyde,3-dichloro- | EINECS 250-492-8 | DICHLOROBENZALDEHYDE | LLMLNAVBOAMOEE-UHFFFAOYSA- | EN300-19650 | STK317882 | EINECS 228-711-3 | NSC 28450 | D1666 | A834336 | 2,3-Dichlorob

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Desiccated,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528755278
• Sorrisos canónicos: C1=CC(=C(C(=C1)Cl)Cl)C=O
• IUPAC Name: 2,3-dichlorobenzaldehyde
• InChIKey: LLMLNAVBOAMOEE-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
• SMILES isoméricas: C1=CC(=C(C(=C1)Cl)Cl)C=O
• WGK Alemanha: 2
• Peso molecular: 175.01
• Beilstein: 508198
• Reaxy-Rn: 508198
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508198&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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: 1,2-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
• Descrição: 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 ação

Propriedades químicas e físicas

• Solubilidade: Solubility in water: Practically insoluble; Soluble in Methanol
• Sensibilidade: air sensitive
• Ponto de ebulição (°C): 105°C/1mmHg
• Ponto de fusão (°C): 60-64°C
• Peso molecular: 175.010 g/mol
• XLogP3: 3.000
• 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: 127.000
• 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