2-Bromopropionic acid - ≥98% , CAS No.598-72-1

CAS: 598-72-1 Cat. No.: B106920 Fórmula: C₃H₅BrO₂ Peso molecular: 152.97 Beilstein Registry Number: 1720261 Número CE: 209-947-6

GRADE & PURITY ≥98%

Synonyms

2-Bromopropanoic acid | Tox21_201417 | J-520410 | (+/-)-2-Bromopropionic acid | MFCD00145205 | J631I | BR1120 | AB03774 | Propanoic acid, 2-bromo-, (.+/-.)- | 2-bromo propionic acid | 2-Bromopropionic acid, analytical standard | 2-BROMOPROPIONIC ACID | 2-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

2-Bromopropanoic acid | Tox21_201417 | J-520410 | (+/-)-2-Bromopropionic acid | MFCD00145205 | J631I | BR1120 | AB03774 | Propanoic acid, 2-bromo-, (.+/-.)- | 2-bromo propionic acid | 2-Bromopropionic acid, analytical standard | 2-BROMOPROPIONIC ACID | 2-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504752184
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752184
• Sorrisos canónicos: CC(C(=O)O)Br
• IUPAC Name: 2-bromopropanoic acid
• InChIKey: MONMFXREYOKQTI-UHFFFAOYSA-N
• INCHI: 1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
• SMILES isoméricas: CC(C(=O)O)Br
• WGK Alemanha: 3
• RTECS: UA2451715
• Número UN: 3265
• Peso molecular: 152.97
• Beilstein: 1720261
• Reaxy-Rn: 605451
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605451&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water, soluble in ethanol, ether, etc.
• Índice de refração: 1.4753
• Ponto de inflamação (°F): 100 °C
• Ponto de inflamação (°C): 100°C
• Ponto de ebulição (°C): 96°C
• Ponto de fusão (°C): 25.7°C
• Peso molecular: 152.970 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.947 Da
• Monoisotopic Mass: 151.947 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 61.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Zhou Qian, Liu Bing, Jia Zhaolei, Gao Xuejiao, Ba Xinwu, Zhang Yuangong, Bai Libin.  (2023)  Study of the temperature/HCO3- response mechanism of hyperbranched poly(bis-acrylamide)s.  POLYMER JOURNAL,  55  (12): (1295-1305).  [PMID:] [10.1038/s41428-023-00811-7]

2. Zhiwu Chen, Xingxing Liang, Rui Yang, Miao Yang, Tianwei Tan, Hui Cao.  (2019)  Construction of ordered multienzyme systems using multifunctional polymer brush-grafted magnetic nanoparticles as scaffolds.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2019.123920]

3. Xianxiang Hu, Zhijie Zhang, Yao Lu, Rui Liu, Lei Sun, Ivan P. Parkin, Xia Zhang.  (2019)  One-step synthesis of Ag@PS nanospheres via flash nanoprecipitation.  APPLIED ORGANOMETALLIC CHEMISTRY,  33  (3): (e4713).  [PMID:] [10.1002/aoc.4713]

4. Linlin Qin, Linling Li, Ye Sha, Ziyu Wang, Dongshan Zhou, Wei Chen, Gi Xue.  (2018)  Conformational Transitions of Polymer Chains in Solutions Characterized by Fluorescence Resonance Energy Transfer.  Polymers,  10  (9): (1007).  [PMID:30960932] [10.3390/polym10091007]

5. Zuguang Liu, Xiang Lu, Junkang Xie, Bo Feng, Qiaoning Han.  (2018)  Synthesis of a novel tunable lignin-based star copolymer and its flocculation performance in the treatment of kaolin suspension.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2018.08.025]

6. Bo Hu, Lingdi Liu, Yanxu Zhao, Changli Lü.  (2016)  A facile construction of quaternized polymer brush-grafted graphene modified polysulfone based composite anion exchange membranes with enhanced performance.  RSC Advances,  6  (56): (51057-51067).  [PMID:] [10.1039/C6RA06363B]

7. Lili Lu, Xianyang Yue, Fuquan Lin, Feng Huang, Bintian Zhang, Zhang Lin.  (2015)  Template-synthesized ultra-thin molecularly imprinted polymers membrane for the selective preconcentration of dyes.  Journal of Materials Chemistry A,  3  (20): (10959-10968).  [PMID:] [10.1039/C4TA07150F]

8. Huanhuan Liu, Xiao Jiang, Rongjian Bian, Min Tong, Dandan Tang, Xiangdong Zhou, Youliang Zhao.  (2015)  Facile synthesis of A2mB2n-type starlike copolymers with two types of V-shaped arms by combination of RAFT, ATRP and ROP processes.  POLYMER,      [PMID:] [10.1016/j.polymer.2015.01.059]

9. Xiang-Chen Che, Yu-Zi Jin, Youn-Sik Lee.  (2010)  Preparation of nano-TiO2/polyurethane emulsions via in situ RAFT polymerization.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2010.09.013]

10. Lingshan Li, Qian Zhou, Jingyi Zhao, Yuangong Zhang, Zhaolei Jia, Xuan Liu, Hailei Zhang, Xinwu Ba, Libin Bai.  (2024)  Synthesis of block macro-CTAs by HNTs@Cu-catalyzed click reaction: Suitable CTAs for synthesizing multiblock polymers via RAFT polymerization.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.113005]

11. Longyun Dong, Fengming Bi, Ze Li, Yu Kuai.  (2025)  Design and Application of Macro-RAFT Copolymer for pH-Switchable Coagulation and Redispersion Acrylic Emulsions.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.57448]

12. Xiuxian Zhao, Junhua Sun, Shudi Ying, Rongchuang Geng, Jiajia Feng, Jiachen Ma, Riming Hu, Panpan Zhao, Xuchuan Jiang, Zheng Liu.  (2026)  Amphiphilic Block Copolymer-Functionalized VO2 Nanocomposites for Smart Waterborne Polyurethane Coatings.  RARE METALS,  45  (3): (e70187).  [PMID:] [10.1002/rar2.70187]

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Perguntas frequentes

How should this product be stored?

Store at room temperature.

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 is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 598-72-1, the molecular formula is C3H5BrO2, and the molecular weight is 152.97 g/mol. InChIKey MONMFXREYOKQTI-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.