2,6-Dibrom-4-methylbenzaldehyd - ≥95% , CAS No.88174-23-6

CAS: 88174-23-6 Cat. No.: D735987 Summenformel: C₈H₆Br₂O Molekulargewicht: 277.94 PubChem CID: 12982748

GRADE & PURITY ≥95%

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥95%

Produkteigenschaften

ALogP

3.1

Namen und Kennungen

Kanonisches Lächeln

CC1=CC(=C(C(=C1)Br)C=O)Br

IUPAC Name

2,6-dibromo-4-methylbenzaldehyde

InChIKey

DQKYOHFYBQVJTH-UHFFFAOYSA-N

INCHI

1S/C8H6Br2O/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3

Isomere SMILES

CC1=CC(=C(C(=C1)Br)C=O)Br

PubChem CID

12982748

Molekulargewicht

277.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Toluenes Bromobenzenes Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl-aldehyde - Aryl bromide - Aryl halide - Vinylogous halide - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 277.940 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 277.876 Da
• Monoisotopic Mass: 275.879 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 137.000
• 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