3,5-Dibromobenzaldehyde - ≥98% , CAS No.56990-02-4

CAS: 56990-02-4 Cat. No.: D122363 Fórmula: C₇H₄Br₂O Peso molecular: 263.91 Beilstein Registry Number: 2573432 Número CE: 611-441-9

GRADE & PURITY ≥98%

Synonyms

FT-0651963 | PS-7344 | Benzaldehyde, 3,5-dibromo- | SY014041 | FT-0614507 | D2832 | 3,5-bis(bromanyl)benzaldehyde | DTXSID80347485 | Z1269139271 | AM20040736 | J-511268 | (3,5-dibromo-phenyl)-methanone | SCHEMBL708554 | 3,5-Dibromobenzaldehyde | 3,5-Dibro

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Reactant involved in: Suzuki-Miyaura cross-coupling reactions. Synthesis of blue fluorescent dye derivatives for organic light emitting diodes. Sharpless kinetic resolution for the formation of Baylis-Hillman enal adducts. Synthesis of podophyllotoxin mimetic pyridopyrazoles as anticancer agents. Allylic alkylation. Synthesis of C2-symmetric biphosphine ligand I.

Specifications

Sinónimos

FT-0651963 | PS-7344 | Benzaldehyde, 3,5-dibromo- | SY014041 | FT-0614507 | D2832 | 3,5-bis(bromanyl)benzaldehyde | DTXSID80347485 | Z1269139271 | AM20040736 | J-511268 | (3,5-dibromo-phenyl)-methanone | SCHEMBL708554 | 3,5-Dibromobenzaldehyde | 3,5-Dibro

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508808680

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808680

Sorrisos canónicos

C1=C(C=C(C=C1Br)Br)C=O

IUPAC Name

3,5-dibromobenzaldehyde

InChIKey

ZLDMZIXUGCGKMB-UHFFFAOYSA-N

INCHI

1S/C7H4Br2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

SMILES isoméricas

C1=C(C=C(C=C1Br)Br)C=O

WGK Alemanha

3

Peso molecular

263.91

Beilstein

2573432

Reaxy-Rn

2573432

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573432&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 89-93°C
• Peso molecular: 263.910 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 263.861 Da
• Monoisotopic Mass: 261.863 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