Bromomalonaldeído - ≥97% , CAS No.2065-75-0

CAS: 2065-75-0 Cat. No.: B122442 Fórmula: C₃H₃BrO₂ Peso molecular: 150.96 Número CE: 430-470-6

GRADE & PURITY ≥97%

Synonyms

Bromomalonaldehyde | bromo-malonaldehyde | Isopropyl 4,4'-dichlorobenzilate | methyl?4-bromobutanoate | MFCD00459999 | 2-Bromomalonaldehyde # | AM20090162 | GS-3576 | intermediate of Tegoprazan | SCHEMBL310025 | DTXSID60174690 | BCP27013 | Brommalondialde

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral

Utilizado na formação de adutos derivados do glioxal a partir de guaninas substituídas Utilizado para construir uma 1,4-dihidroquinolina com um grupo sulfóxido quiral C-3 que funciona como um modelo NADH anelado na redução enantioselectiva do benzoilformato de metilo a mandelato de metilo.

Specifications

Sinónimos

Bromomalonaldehyde | bromo-malonaldehyde | Isopropyl 4,4'-dichlorobenzilate | methyl?4-bromobutanoate | MFCD00459999 | 2-Bromomalonaldehyde # | AM20090162 | GS-3576 | intermediate of Tegoprazan | SCHEMBL310025 | DTXSID60174690 | BCP27013 | Brommalondialde

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 508814529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508814529
• Sorrisos canónicos: C(=O)C(C=O)Br
• IUPAC Name: 2-bromopropanedial
• InChIKey: SURMYNZXHKLDFO-UHFFFAOYSA-N
• INCHI: 1S/C3H3BrO2/c4-3(1-5)2-6/h1-3H
• SMILES isoméricas: C(=O)C(C=O)Br
• WGK Alemanha: 3
• Peso molecular: 150.96
• Reaxy-Rn: 1740169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Alpha-bromoaldehydes Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Alpha-bromoaldehyde - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aldehyde - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
• 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; Hygroscopic; heat sensitive
• Ponto de fusão (°C): 132-136°C
• Peso molecular: 150.960 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.932 Da
• Monoisotopic Mass: 149.932 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 53.800
• 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