3-Bromo-2-hydroxybenzoic acid - ≥96% , CAS No.3883-95-2

CAS: 3883-95-2 Cat. No.: B184227 Fórmula: C₇H₅BrO₃ Peso molecular: 217 Número CE: 630-046-2

GRAU & PUREZA ≥96%

Synonyms

AKOS005166744 | AC-28544 | BBL018907 | 3-bromo-2-hydroxybenzoicacid | AM84125 | FS-2799 | BDBM50219493 | STL138423 | EN300-71404 | SY013778 | DTXSID20334495 | J-511872 | MFCD03265705 | CL8069 | 3-bromosalicylic acid | FT-0647516 | Z367679360 | A6545 | BCP

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

AKOS005166744 | AC-28544 | BBL018907 | 3-bromo-2-hydroxybenzoicacid | AM84125 | FS-2799 | BDBM50219493 | STL138423 | EN300-71404 | SY013778 | DTXSID20334495 | J-511872 | MFCD03265705 | CL8069 | 3-bromosalicylic acid | FT-0647516 | Z367679360 | A6545 | BCP

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

504759074

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759074

Sorrisos canónicos

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

IUPAC Name

3-bromo-2-hydroxybenzoic acid

InChIKey

BHPSQWRVKOPSOQ-UHFFFAOYSA-N

INCHI

1S/C7H5BrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)

SMILES isoméricas

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

Peso molecular

217

Reaxy-Rn

2090442

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2090442&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylic acids
• Alternative Parents: Halobenzoic acids 3-halobenzoic acids Benzoic acids O-bromophenols Benzoyl derivatives Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid - Benzoic acid - Benzoyl - 2-bromophenol - 2-halophenol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 217.020 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.942 Da
• Monoisotopic Mass: 215.942 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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