3,5-Dibromo-4-hydroxybenzohydrazide - ≥95% , CAS No.857537-46-3

CAS: 857537-46-3 Cat. No.: D1048849 分子式: C₇H₆Br₂N₂O₂ 分子量: 309.94 PubChem CID: 19618167

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

仕様と純度

≥95%

保管条件

Room temperature

純度

≥95%

名前と識別子

カノニカル・スマイル

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

IUPAC Name

3,5-dibromo-4-hydroxybenzohydrazide

InChIKey

GXDMLROKVHNPFT-UHFFFAOYSA-N

INCHI

1S/C7H6Br2N2O2/c8-4-1-3(7(13)11-10)2-5(9)6(4)12/h1-2,12H,10H2,(H,11,13)

異性体SMILES

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

PubChem CID

19618167

分子量

309.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: O-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acid hydrazides Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Benzoyl - 2-halophenol - 2-bromophenol - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• 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

化学的性質と物理的性質

• 分子量: 309.940 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 309.878 Da
• Monoisotopic Mass: 307.88 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 857537-46-3, the molecular formula is C7H6Br2N2O2, and the molecular weight is 309.94 g/mol. InChIKey GXDMLROKVHNPFT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.