3-Bromo-2-hidroxi-5-metilbenzaldeído - ≥98% , CAS No.33172-54-2

CAS: 33172-54-2 Cat. No.: B183759 Fórmula: C₈H₇BrO₂ Peso molecular: 215 Número CE: 673-389-3

GRAU & PUREZA ≥98%

Synonyms

BS-28039 | MFCD00275688 | SCHEMBL1303936 | Z979493226 | LCZDQTSSLMAXCI-UHFFFAOYSA-N | N12214 | AKOS000103896 | EN300-129716 | 6-bromo-4-methyl-2-formylphenol | 2,2-hydrazodiethanol | A821645 | SY042778 | 3-bromo-2-hydroxy-5-methylbenzaldehyde | 3-Bromo-2-

Storage

Temperatura ambiente

Shipped In

Normal

Especificações

Sinónimos

BS-28039 | MFCD00275688 | SCHEMBL1303936 | Z979493226 | LCZDQTSSLMAXCI-UHFFFAOYSA-N | N12214 | AKOS000103896 | EN300-129716 | 6-bromo-4-methyl-2-formylphenol | 2,2-hydrazodiethanol | A821645 | SY042778 | 3-bromo-2-hydroxy-5-methylbenzaldehyde | 3-Bromo-2-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Temperatura ambiente

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC1=CC(=C(C(=C1)Br)O)C=O

IUPAC Name

3-bromo-2-hydroxy-5-methylbenzaldehyde

InChIKey

LCZDQTSSLMAXCI-UHFFFAOYSA-N

INCHI

1S/C8H7BrO2/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,11H,1H3

SMILES isoméricas

CC1=CC(=C(C(=C1)Br)O)C=O

Peso molecular

215

Reaxy-Rn

2045121

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045121&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: Para cresols O-bromophenols Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - P-cresol - Bromobenzene - Halobenzene - Phenol - Toluene - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - 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

• Peso molecular: 215.040 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 33172-54-2, the molecular formula is C8H7BrO2, and the molecular weight is 215 g/mol. InChIKey LCZDQTSSLMAXCI-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.