3-Bromo-4-hydroxybenzaldehyde - ≥97% , CAS No.2973-78-6

CAS: 2973-78-6 Cat. No.: B102178 Fórmula: C₇H₅BrO₂ Peso molecular: 201.02 Beilstein Registry Number: 8,82 Número CE: 608-409-1

GRADE & PURITY ≥97%

Synonyms

MFCD00074744 | AM62564 | A820037 | Z56960236 | EN300-07841 | Benzaldehyde, 3-bromo-4-hydroxy- | STK398334 | CK2092 | EFV | DTXSID30183890 | MFCD00017348 | PS-3499 | SY040634 | Q63395282 | HSDB 7159 | NSC 220227 | 3-bromo-4-hydroxy benzaldehyde | 3-Bromo-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

Application

3-Bromo-4-hydroxybenzaldehyde is an intermediate in organic syntheses, it is used to produce other chemicals like 5-Brom-4-hydroxy-b-nitrostyrol.

Specifications

Sinónimos

MFCD00074744 | AM62564 | A820037 | Z56960236 | EN300-07841 | Benzaldehyde, 3-bromo-4-hydroxy- | STK398334 | CK2092 | EFV | DTXSID30183890 | MFCD00017348 | PS-3499 | SY040634 | Q63395282 | HSDB 7159 | NSC 220227 | 3-bromo-4-hydroxy benzaldehyde | 3-Bromo-4

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

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

Pureza

≥97%

Propriedades do produto

• Intervalos de excitação e emissão: 125-135°C

Nomes e identificadores

• Pubchem Sid: 504755045
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755045
• Sorrisos canónicos: C1=CC(=C(C=C1C=O)Br)O
• IUPAC Name: 3-bromo-4-hydroxybenzaldehyde
• InChIKey: UOTMHAOCAJROQF-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
• SMILES isoméricas: C1=CC(=C(C=C1C=O)Br)O
• WGK Alemanha: 3
• Peso molecular: 201.02
• Beilstein: 8,82
• Reaxy-Rn: 2205318
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205318&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: O-bromophenols Benzoyl derivatives Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - Phenol - Halobenzene - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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

• Solubilidade: Soluble in water 1.33 g/L.
• Sensibilidade: Air sensitive.
• Ponto de fusão (°C): 130-135°C
• Peso molecular: 201.020 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.947 Da
• Monoisotopic Mass: 199.947 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2973-78-6, the molecular formula is C7H5BrO2, and the molecular weight is 201.02 g/mol. InChIKey UOTMHAOCAJROQF-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.