4-Bromo-3-hydroxybenzaldehyde - ≥97% , CAS No.20035-32-9

CAS: 20035-32-9 Cat. No.: B680699 Formula: C₇H₅BrO₂ Peso molecolare: 201.02 Numero EC: 118-316-3 PubChem CID: 14759395

GRADE & PURITY ≥97%

Synonyms

4-bromanyl-3-oxidanyl-benzaldehyde

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

4-bromanyl-3-oxidanyl-benzaldehyde

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528760630

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760630

Sorrisi canonici

C1=CC(=C(C=C1C=O)O)Br

IUPAC Name

4-bromo-3-hydroxybenzaldehyde

InChIKey

USCBCBWUZOPHNV-UHFFFAOYSA-N

INCHI

1S/C7H5BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H

Isomeri SMILES

C1=CC(=C(C=C1C=O)O)Br

CAS alternativo

20035-32-9

PubChem CID

14759395

Peso molecolare

201.02

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-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-halophenol - 2-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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