3-Bromo-2-methylbenzohydrazide - ≥97% , CAS No.108485-07-0

CAS: 108485-07-0 Cat. No.: B708644 Fórmula: C₈H₉BrN₂O Peso molecular: 229.08

GRADE & PURITY ≥97%

Synonyms

3-bromo-2-methyl-benzohydrazide | 3-bromanyl-2-methyl-benzohydrazide

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

3-bromo-2-methyl-benzohydrazide | 3-bromanyl-2-methyl-benzohydrazide

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CC1=C(C=CC=C1Br)C(=O)NN

IUPAC Name

3-bromo-2-methylbenzohydrazide

InChIKey

HAAKSCUEVFJSTN-UHFFFAOYSA-N

INCHI

1S/C8H9BrN2O/c1-5-6(8(12)11-10)3-2-4-7(5)9/h2-4H,10H2,1H3,(H,11,12)

SMILES isoméricas

CC1=C(C=CC=C1Br)C(=O)NN

Peso molecular

229.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe 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
• Classe: 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-Toluamides 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 - O-toluamide - Toluamide - Benzoyl - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 157-158 °C
• Peso molecular: 229.070 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 227.99 Da
• Monoisotopic Mass: 227.99 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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