4-(2-Bromoethyl)phenylboronic acid（contains varying amounts of Anhydride） - ≥97% , CAS No.137756-90-2

CAS: 137756-90-2 Cat. No.: B181368 Molecular Weight: 228.9

GRADE & PURITY ≥97%

Synonyms

[4-(2-Bromoethyl)phenyl]boronic acid | AKOS015893140 | Boronic acid, [4-(2-bromoethyl)phenyl]- (9CI) | A886407 | (4-(2-Bromoethyl)phenyl)boronic acid | 4-(2-Bromoethyl)phenylboronic acid | SCHEMBL9145073 | 4-(2-Bromoethyl)phenyl boronic acid | BS-20882 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

[4-(2-Bromoethyl)phenyl]boronic acid | AKOS015893140 | Boronic acid, [4-(2-bromoethyl)phenyl]- (9CI) | A886407 | (4-(2-Bromoethyl)phenyl)boronic acid | 4-(2-Bromoethyl)phenylboronic acid | SCHEMBL9145073 | 4-(2-Bromoethyl)phenyl boronic acid | BS-20882 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=CC=C(C=C1)CCBr)(O)O
• IUPAC Name: [4-(2-bromoethyl)phenyl]boronic acid
• InChIKey: FFNGHXMQOMKXOW-UHFFFAOYSA-N
• INCHI: 1S/C8H10BBrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5-6H2
• Isomeric SMILES: B(C1=CC=C(C=C1)CCBr)(O)O
• Molecular Weight: 228.9
• Reaxy-Rn: 13565287
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13565287&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Boronic acids Organic metalloid salts Organometalloid compounds Organobromides Organic oxygen compounds Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Molecular Weight: 228.880 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.996 Da
• Monoisotopic Mass: 227.996 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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

XLogP3

References

1. Jianqiu Yang, Zhenzhen Huang, Jiang Tan, Jingye Pan, Shixuan Chen, Wenbing Wan.  (2023)  Copper ion/gallic acid MOFs-laden adhesive pomelo peel sponge effectively treats biofilm-infected skin wounds and improves healing quality.  Bioactive Materials,      [PMID:37869725] [10.1016/j.bioactmat.2023.10.005]

2. Hongfan Che, Junzhi Xu, Dong Wu, Siliang Chen, Chengkang Liu, Chongbao Zhao, Kun Peng.  (2024)  Reactive oxygen species-responsive polydopamine-PtCuTe nanoparticle-loaded microneedle system for promoting the healing of infected skin wounds.  JOURNAL OF CONTROLLED RELEASE,      [PMID:39505217] [10.1016/j.jconrel.2024.11.002]

3. Jianqiu Yang, Jing Wang, Zhihua Zeng, Zhenyu Chen, Dingguo Wang, Yongbing Wu.  (2025)  Injectable sustained-release danshensu sodium-loaded nanoparticle hydrogel targets macrophages to improve myocardial microenvironment for myocardial infarction treatment.  Bioactive Materials,      [PMID:40895235] [10.1016/j.bioactmat.2025.08.014]