4-Bromo-3-hydroxybenzoic acid - ≥98% , CAS No.14348-38-0

CAS: 14348-38-0 Cat. No.: B302871 Summenformel: C₇H₅BrO₃ Molekulargewicht: 217.02 EG-Nummer: 630-184-3

GRADE & PURITY ≥98%

Synonyms

PD088077 | AM84020 | p-Brom-m-oxybenzoesaure | BBL101377 | HY-W003445 | Benzoic acid, 4-bromo-3-hydroxy- | CCG-266697 | MFCD08056371 | 4-bromo-3-hydroxybenzoicacid | SY012255 | DTXSID20423595 | FS-2435 | s5444 | AKOS005258209 | 4-Bromo-3-hydroxybenzoic ac

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

PD088077 | AM84020 | p-Brom-m-oxybenzoesaure | BBL101377 | HY-W003445 | Benzoic acid, 4-bromo-3-hydroxy- | CCG-266697 | MFCD08056371 | 4-bromo-3-hydroxybenzoicacid | SY012255 | DTXSID20423595 | FS-2435 | s5444 | AKOS005258209 | 4-Bromo-3-hydroxybenzoic ac

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488195754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195754
• Kanonisches Lächeln: C1=CC(=C(C=C1C(=O)O)O)Br
• IUPAC Name: 4-bromo-3-hydroxybenzoic acid
• InChIKey: PAJSESFUWIYFNF-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
• Isomere SMILES: C1=CC(=C(C=C1C(=O)O)O)Br
• Molekulargewicht: 217.02
• Reaxy-Rn: 2207865
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207865&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Halobenzoic acids 4-halobenzoic acids Benzoic acids O-bromophenols Benzoyl derivatives Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - Benzoyl - 2-bromophenol - 2-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 338.6°C
• Schmelzpunkt (°C): 225-227°C
• Molekulargewicht: 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

Häufig gestellte Fragen

How is this product shipped?

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

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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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

The CAS Number is 14348-38-0, the molecular formula is C7H5BrO3, and the molecular weight is 217.02 g/mol. InChIKey PAJSESFUWIYFNF-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.