4-(Bromomethyl)benzoic Acid - ≥97% , CAS No.6232-88-8

CAS: 6232-88-8 Cat. No.: B152291 Molecular Weight: 215.05 Beilstein Registry Number: 1862870 EC Number: 228-343-3

GRADE & PURITY ≥97%

Synonyms

4-Bromomethylbenzoicacid | AKOS000103789 | alpha-Bromo-p-toluic acid | BP-13470 | p-Toluic acid, alpha-bromo- | EINECS 228-343-3 | p-Bromomethyl benzoic acid | Q27454562 | SCHEMBL220750 | W-105008 | 4-(BROMOMETHYL)BENZOIC ACID | 4-(bromomethyl)-benzoic ac

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

4-Bromomethylbenzoicacid | AKOS000103789 | alpha-Bromo-p-toluic acid | BP-13470 | p-Toluic acid, alpha-bromo- | EINECS 228-343-3 | p-Bromomethyl benzoic acid | Q27454562 | SCHEMBL220750 | W-105008 | 4-(BROMOMETHYL)BENZOIC ACID | 4-(bromomethyl)-benzoic ac

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488182771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182771
• Canonical Smiles: C1=CC(=CC=C1CBr)C(=O)O
• IUPAC Name: 4-(bromomethyl)benzoic acid
• InChIKey: CQQSQBRPAJSTFB-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
• Isomeric SMILES: C1=CC(=CC=C1CBr)C(=O)O
• WGK Germany: 3
• Molecular Weight: 215.05
• Beilstein: 1862870
• Reaxy-Rn: 1862870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862870&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzyl bromides Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Benzyl bromide - Benzyl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkyl halide - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Associated Targets(non-human)

Leishmania amazonensis (3813 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trypanosoma cruzi (99888 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Melt Point(°C): 230 °C
• Molecular Weight: 215.040 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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

References

1. Yuqiong Shi, Wei Liu, Xiangrong Wu, Jinhua Zhu, Danyang Zhou, Xiuhua Liu.  (2021)  A Water-Soluble Polyacid Polymer Based on Hydrophilic Metal–Organic Frameworks Using Amphoteric Carboxylic Acid Ligands as Linkers for Hydroxycamptothecin Loading and Release In Vitro.  Nanomaterials,  11  (11): (2854).  [PMID:34835619] [10.3390/nano11112854]

2. Xu-Min Cai, Xiao Chen, Xinfei Chen, Yu Li, Fei Wang.  (2019)  A luminescent cellulose ether with a regenerated crystal form obtained in tetra(n-butyl)ammonium hydroxide/dimethyl sulfoxide.  CARBOHYDRATE POLYMERS,      [PMID:31887945] [10.1016/j.carbpol.2019.115649]

3. Rui Ma, Zhen-Gang Ma, Jin-Lai Gao, Yu Tai, Lan-Jun Li, Hai-Bin Zhu, Li Li, De-Li Dong, Zhi-Jie Sun.  (2019)  Injectable pegylated niclosamide (polyethylene glycol-modified niclosamide) for cancer therapy.  JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A,  108  (1): (30-38).  [PMID:31433913] [10.1002/jbm.a.36788]

4. Fangfang Zhang, Yingxuan Wen, Falong Shan, Jingru Dou, Shougui Wang, Jipeng Dong, Guanghui Chen, Fei Gao.  (2025)  Construction of pyridine-based porous ionic polymers with rich multifunctional sites for efficient CO2 cycloaddition.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.115366]