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

CAS: 6334-18-5 Cat. No.: D109457 Formule: C₇H₄Cl₂O Poids moléculaire: 175.01 Beilstein Registry Number: 508198 Numéro 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

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Vue d’ensemble

2,3-Dichlorobenzaldehyde is suitable for use in the preparation of: 4-(2,3-dichlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, Schiff base ethyl 4-(2,3-dichlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate via Biginelli condensation benzyl 4-(2,3-dichlorophenyl)-1,3,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528755278

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755278

Sourires canoniques

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

Isomères SMILES

C1=CC(=C(C(=C1)Cl)Cl)C=O

WGK Allemagne

2

Poids moléculaire

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility in water: Practically insoluble; Soluble in Methanol
• Sensibilité: air sensitive
• Point d'ébullition (°C): 105°C/1mmHg
• Point de fusion (°C): 60-64°C
• Poids moléculaire: 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