4,5-dichloro-2-fluorobenzaldehyde - ≥97% , CAS No.1217800-70-8

CAS: 1217800-70-8 Cat. No.: D627482 Summenformel: C₇H₃Cl₂FO Molekulargewicht: 193 PubChem CID: 87317372

GRADE & PURITY ≥97%

Synonyms

4,5-dichloro-2-fluorobenzaldehyde | 1217800-70-8 | SCHEMBL1965867 | 4,5-dichloro-2-fluoro-benzaldehyde | MFCD28785955 | Benzaldehyde, 4,5-dichloro-2-fluoro- | BS-42736 | C90875 | A891420

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4,5-dichloro-2-fluorobenzaldehyde | 1217800-70-8 | SCHEMBL1965867 | 4,5-dichloro-2-fluoro-benzaldehyde | MFCD28785955 | Benzaldehyde, 4,5-dichloro-2-fluoro- | BS-42736 | C90875 | A891420

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1=C(C(=CC(=C1Cl)Cl)F)C=O

IUPAC Name

4,5-dichloro-2-fluorobenzaldehyde

InChIKey

OXEVLIPBDBFQBA-UHFFFAOYSA-N

INCHI

1S/C7H3Cl2FO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-3H

Isomere SMILES

C1=C(C(=CC(=C1Cl)Cl)F)C=O

PubChem CID

87317372

Molekulargewicht

193

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Benzoyl derivatives Benzaldehydes Fluorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - 1,2-dichlorobenzene - Fluorobenzene - Aryl-aldehyde - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organochloride - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 193.000 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.954 Da
• Monoisotopic Mass: 191.954 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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