Cas no 55715-03-2 (4-(Bromomethyl)-3-nitrobenzoic acid)

4-(Bromomethyl)-3-nitrobenzoic acid is a brominated aromatic compound featuring both a carboxylic acid and a nitro functional group, making it a versatile intermediate in organic synthesis. The bromomethyl group offers reactivity for nucleophilic substitution, enabling further derivatization, while the nitro and carboxylic acid functionalities provide additional sites for chemical modification. This compound is particularly useful in pharmaceutical and agrochemical research, where it serves as a building block for the synthesis of more complex molecules. Its well-defined structure and high purity ensure consistent performance in coupling reactions and other synthetic applications. Proper handling is advised due to its potential reactivity.
4-(Bromomethyl)-3-nitrobenzoic acid structure
55715-03-2 structure
Product Name:4-(Bromomethyl)-3-nitrobenzoic acid
CAS No:55715-03-2
MF:C8H6BrNO4
MW:260.041541576386
MDL:MFCD00216575
CID:56814
PubChem ID:24866507
Update Time:2025-06-08

4-(Bromomethyl)-3-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(Bromomethyl)-3-nitrobenzoic acid
    • 4-Bromomethyl-3-nitrobenzoic acid
    • 3-Nitro-4-(bromomethyl)benzoic acid
    • 4-(Bromomethyl)-3-nitrobenzoicacid
    • Benzoic acid, 4-(bromomethyl)-3-nitro-
    • 3-nitro-4-bromomethylbenzoic acid
    • BNBA
    • KSC495I9F
    • QMAHVAFURJBOFV-UHFFFAOYSA-N
    • alpha-Bromo-3-nitro-p-toluic acid
    • 4-bromomethyl-3-nitro-benzoic acid
    • 4-bromomethyl-3-nitro benzoic acid
    • 3-nitro-4-b
    • EU-0050907
    • 4-Bromomethyl-3-nitrobenzoic acid, 97%
    • A8043
    • STR05282
    • AM808253
    • MFCD00216575
    • AKOS005175066
    • 3-nitro-4-bromomethyl benzoic acid
    • DTXSID30204251
    • W-203101
    • SCHEMBL13801545
    • 55715-03-2
    • SY034741
    • ortho-nitro alpha-bromo-p-toluic acid
    • AG-205/15424370
    • AMY23991
    • CHEMBL1834878
    • SCHEMBL40979
    • FT-0640332
    • AC-6543
    • DB-026191
    • DTXCID30126742
    • MDL: MFCD00216575
    • Inchi: 1S/C8H6BrNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
    • InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N
    • SMILES: BrCC1C=CC(C(=O)O)=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 258.94800
  • Monoisotopic Mass: 258.948
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: 83.1
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.814
  • Melting Point: 127-130?°C (lit.)
  • Boiling Point: 392 oC
  • Flash Point: 191 oC
  • Refractive Index: 1.6500 (estimate)
  • Solubility: DMF: soluble(lit.)
  • Water Partition Coefficient: Soluble in DMF and dichloromethane. Insoluble in water.
  • PSA: 83.12000
  • LogP: 2.71110
  • Solubility: Not available

4-(Bromomethyl)-3-nitrobenzoic acid Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 3261 8/PG 2
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45-S25
  • FLUKA BRAND F CODES:19
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:II
  • Storage Condition:Store at room temperature
  • Packing Group:III
  • Hazard Level:8
  • Risk Phrases:R34
  • Packing Group:III
  • Safety Term:8

4-(Bromomethyl)-3-nitrobenzoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-(Bromomethyl)-3-nitrobenzoic acid Pricemore >>

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4-(Bromomethyl)-3-nitrobenzoic acid Production Method

Additional information on 4-(Bromomethyl)-3-nitrobenzoic acid

Professional Introduction to 4-(Bromomethyl)-3-nitrobenzoic Acid (CAS No. 55715-03-2)

4-(Bromomethyl)-3-nitrobenzoic acid, with the chemical identifier CAS No. 55715-03-2, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its nitro and bromomethyl functional groups, serves as a versatile intermediate in the synthesis of various bioactive molecules. Its unique structural properties make it particularly valuable in the development of novel therapeutic agents and advanced materials.

The bromomethyl substituent in 4-(Bromomethyl)-3-nitrobenzoic acid is a key feature that enhances its reactivity, allowing for further functionalization through nucleophilic substitution reactions. This property is particularly useful in medicinal chemistry, where it can be employed to introduce additional functional groups or linkages into complex molecular frameworks. The 3-nitro group, on the other hand, contributes to the compound's electronic characteristics, influencing its solubility, stability, and reactivity in various chemical environments.

In recent years, 4-(Bromomethyl)-3-nitrobenzoic acid has been explored in several cutting-edge research areas. One notable application is in the synthesis of targeted drug delivery systems. The ability to modify the benzoic acid core with diverse functional groups allows researchers to design molecules that can selectively interact with biological targets. This has implications for the development of more effective and personalized therapies.

Additionally, the compound has been investigated for its potential role in materials science. The nitro group can be used to tune the electronic properties of polymers and coatings, making 4-(Bromomethyl)-3-nitrobenzoic acid a valuable precursor for advanced materials with tailored functionalities. These materials could find applications in electronics, photonics, and other high-tech industries.

Recent studies have also highlighted the utility of 4-(Bromomethyl)-3-nitrobenzoic acid in the synthesis of heterocyclic compounds. Heterocycles are essential scaffolds in many pharmaceuticals and agrochemicals due to their biological activity and structural diversity. The bromomethyl group provides a convenient handle for constructing complex ring systems, enabling the creation of novel molecules with potential therapeutic benefits.

The compound's reactivity also makes it a useful tool in organic synthesis for constructing carbon-carbon bonds. This capability is crucial for building larger and more complex molecules from simpler precursors. Researchers have leveraged 4-(Bromomethyl)-3-nitrobenzoic acid to develop efficient synthetic routes to various natural products and synthetic intermediates.

In summary, 4-(Bromomethyl)-3-nitrobenzoic acid (CAS No. 55715-03-2) is a multifaceted compound with broad applications in pharmaceuticals, materials science, and organic synthesis. Its unique structural features and reactivity make it an indispensable tool for researchers seeking to develop innovative solutions across multiple scientific disciplines.

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