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

CAS: 2065-75-0 Cat. No.: B122442 Peso molecular: 150.96 Número EC: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Used in the formation of glyoxal-derived adducts from substituted guanines Used to construct a 1,4-dihydroquinoline bearing a C-3 chiral sulfoxide group which functions as an annelated NADH model in the enantioselective reduction of methyl benzoylformate to methyl mandelate.

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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C(=O)C(C=O)Br
• WGK Alemania: 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
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive; Hygroscopic; heat sensitive
• Punto de fusión (°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