4-Bromopyrazolidine-1,2-dicarbaldehyde - ≥95% , CAS No.162887-23-2

CAS: 162887-23-2 Cat. No.: B1067010 Peso molecular: 207.03 PubChem CID: 1481316

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1C(CN(N1C=O)C=O)Br
• IUPAC Name: 4-bromopyrazolidine-1,2-dicarbaldehyde
• InChIKey: UIIXOFPRKPPCBR-UHFFFAOYSA-N
• INCHI: 1S/C5H7BrN2O2/c6-5-1-7(3-9)8(2-5)4-10/h3-5H,1-2H2
• Isómeros SMILES: C1C(CN(N1C=O)C=O)Br
• PubChem CID: 1481316
• Peso molecular: 207.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid hydrazides
          • Level6 Diacylhydrazines

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid hydrazides
• Direct Parent: Diacylhydrazines
• Alternative Parents: Pyrazolidines Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Diacylhydrazine - Pyrazolidine - Organoheterocyclic compound - Azacycle - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diacylhydrazines. These are carboxylic acid hydrazides with the formula RC(=O)NNC(R')=O ( R,R'=H or organyl 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

• Peso molecular: 207.030 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 205.969 Da
• Monoisotopic Mass: 205.969 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 10
• 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