Cas no 62176-31-2 (2-Benzyloxy-5-bromobenzoic acid)

2-Benzyloxy-5-bromobenzoic acid is a brominated aromatic carboxylic acid derivative featuring a benzyloxy substituent at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromine atom enhances reactivity for further functionalization via cross-coupling reactions, while the carboxylic acid group allows for derivatization into esters, amides, or other derivatives. Its benzyl-protected hydroxyl group provides stability under various reaction conditions while remaining amenable to deprotection when needed. The compound's well-defined structure and functional group compatibility make it valuable for constructing complex molecules in medicinal chemistry and materials science research.
2-Benzyloxy-5-bromobenzoic acid structure
62176-31-2 structure
Product Name:2-Benzyloxy-5-bromobenzoic acid
CAS No:62176-31-2
MF:C14H11BrO3
MW:307.139343500137
MDL:MFCD04612889
CID:525505
PubChem ID:2461357
Update Time:2025-10-28

2-Benzyloxy-5-bromobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Benzyloxy)-5-bromobenzoic acid
    • 2-BENZYLOXY-5-BROMO-BENZOIC ACID
    • Benzoic acid,5-bromo-2-(phenylmethoxy)-
    • 5-bromo-2-[(phenylmethyl)oxy]benzoic acid
    • 2-Benzyloxy-5-bromobenzoic acid
    • 5-bromo-2-phenylmethoxybenzoic acid
    • 5-Bromo-2-benzyloxybenzoic acid
    • VIQAXGLEBKDMGC-UHFFFAOYSA-N
    • KM0583
    • STK500999
    • BBL036967
    • Benzoic acid, 5-bromo-2-(phenylmethoxy)-
    • 5-
    • DTXSID50368748
    • C75921
    • SR-01000045329-1
    • Z56931703
    • EN300-06646
    • AKOS001073032
    • CS-0156204
    • 2-(benzyloxy)-5-bromobenzoicacid
    • DS-18645
    • SCHEMBL384896
    • MFCD04612889
    • SR-01000045329
    • 62176-31-2
    • C14H11BrO3
    • ALBB-008969
    • MDL: MFCD04612889
    • Inchi: 1S/C14H11BrO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
    • InChI Key: VIQAXGLEBKDMGC-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(=O)O)C=1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 305.98900
  • Monoisotopic Mass: 304.981332
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.5
  • XLogP3: 3.6

Experimental Properties

  • Density: 1.514
  • Boiling Point: 442.2°C at 760 mmHg
  • Flash Point: 221.3°C
  • Refractive Index: 1.628
  • PSA: 46.53000
  • LogP: 3.72630

2-Benzyloxy-5-bromobenzoic acid Security Information

2-Benzyloxy-5-bromobenzoic acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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2-Benzyloxy-5-bromobenzoic acid Production Method

2-Benzyloxy-5-bromobenzoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:62176-31-2)2-Benzyloxy-5-bromobenzoic acid
Order Number:A868537
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:12
Price ($):182.0

Additional information on 2-Benzyloxy-5-bromobenzoic acid

Compound CAS No. 62176-31-2: 2-Benzyloxy-5-bromobenzoic Acid

2-Benzyloxy-5-bromobenzoic acid, also known by its CAS registry number 62176-31-2, is a significant organic compound with a diverse range of applications in the fields of pharmaceuticals, agrochemicals, and materials science. This compound is characterized by its unique structure, which includes a benzoic acid moiety substituted with a benzyl group at the 2-position and a bromine atom at the 5-position. The combination of these substituents imparts distinctive chemical and physical properties to the molecule, making it a valuable compound for various research and industrial purposes.

The chemical structure of 2-Benzyloxy-5-bromobenzoic acid is composed of a benzene ring with three substituents: a hydroxyl group (-OH) attached to the benzoic acid moiety, a benzyl group (-OCH?C?H?) at the 2-position, and a bromine atom (Br) at the 5-position. This arrangement creates steric and electronic effects that influence the compound's reactivity, solubility, and stability. The benzyloxy group contributes to the molecule's lipophilicity, while the bromine substituent introduces halogen-related properties, such as increased reactivity in certain chemical reactions.

Recent studies have highlighted the potential of 2-Benzyloxy-5-bromobenzoic acid in drug discovery and development. Researchers have explored its role as a precursor in the synthesis of bioactive molecules, particularly in the design of kinase inhibitors and other therapeutic agents. The compound's ability to undergo various functional group transformations makes it an ideal building block for constructing complex molecular architectures.

In terms of physical properties, 2-Benzyloxy-5-bromobenzoic acid exhibits a melting point of approximately 180°C and is sparingly soluble in water but readily soluble in organic solvents such as dichloromethane and ethyl acetate. These characteristics are advantageous for its use in organic synthesis and purification processes.

The synthesis of 2-Benzyloxy-5-bromobenzoic acid typically involves multi-step procedures that include nucleophilic aromatic substitution, Friedel-Crafts acylation, or coupling reactions. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound, aligning with the principles of green chemistry.

Beyond its role as an intermediate in organic synthesis, 2-Benzyloxy-5-bromobenzoic acid has shown promise in materials science applications. For instance, researchers have investigated its potential as a component in advanced polymer systems and as a precursor for generating functional materials with tailored properties.

In conclusion, CAS No. 62176-31-2, or 2-Benzyloxy-5-bromobenzoic acid, stands out as a versatile compound with significant potential across multiple disciplines. Its unique structure, combined with recent research advancements, positions it as an essential tool for scientists and engineers seeking innovative solutions in drug development, materials innovation, and beyond.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:62176-31-2)2-Benzyloxy-5-bromobenzoic acid
A868537
Purity:99%
Quantity:5g
Price ($):182.0
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