8-Bromooctanoic Acid - ≥97% , CAS No.17696-11-6

CAS: 17696-11-6 Cat. No.: B135312 Peso molecular: 223.11 Beilstein Registry Number: 2(2)303 Número EC: 605-788-5

GRADE & PURITY ≥97%

Synonyms

SCHEMBL329076 | J-200082 | 8-bromo octanoic acid | MFCD00004430 | B1675 | AC-16341 | BR1099 | AMY31536 | BP-31087 | 8-Bromooctanoic acid, 97% | FT-0637589 | 8-Bromooctanoic acid | 8-bromo-octanoic acid | 8-Bromooctanoicacid | AS-12133 | DTXSID40338314 | O

Storage

Room temperature

Shipped In

Normal

Application

228,229

Descripción general

Application：

8-Bromooctanoic acid is used in the synthesis of 8-(N-Methyl-4,4'-bipyridinyl)- octanoic acid. 8-Mercaptooctanoic acid was prepared from 8-bromooctanoic acid.

Specifications

Sinónimos

SCHEMBL329076 | J-200082 | 8-bromo octanoic acid | MFCD00004430 | B1675 | AC-16341 | BR1099 | AMY31536 | BP-31087 | 8-Bromooctanoic acid, 97% | FT-0637589 | 8-Bromooctanoic acid | 8-bromo-octanoic acid | 8-Bromooctanoicacid | AS-12133 | DTXSID40338314 | O

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488190245
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190245
• Sonrisas canónicas: C(CCCC(=O)O)CCCBr
• IUPAC Name: 8-bromooctanoic acid
• InChIKey: BKJFDZSBZWHRNH-UHFFFAOYSA-N
• INCHI: 1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
• Isómeros SMILES: C(CCCC(=O)O)CCCBr
• WGK Alemania: 3
• Número ONU: 3261
• Grupo de embalaje: III
• Peso molecular: 223.11
• Beilstein: 2(2)303
• Reaxy-Rn: 1756103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Halogenated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Halogenated fatty acid - Straight chain fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organobromide - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), Methanol (Slightly)；Slightly soluble in water.
• Punto de ebullición (°C): 147-150 °C/2 mmHg (lit.)
• Punto de fusión (°C): 35-37 °C (lit.)
• Peso molecular: 223.110 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 222.026 Da
• Monoisotopic Mass: 222.026 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 104.000
• 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

Referencias

1. Xiayu Liang, Qingle Zeng.  (2022)  Recovery of samarium(III) and cobalt(II) in synthetic nitric acid solutions using carboxyl functionalized ionic liquids and application to recycling SmCo permanent magnets.  HYDROMETALLURGY,      [PMID:] [10.1016/j.hydromet.2022.106016]

2. Bingying Xu, Haibo Zhou, Qingsong Mei, Wei Tang, Yilun Sun, Mengping Gao, Cuilan Zhang, Shengsong Deng, Yong Zhang.  (2018)  Real-Time Visualization of Cysteine Metabolism in Living Cells with Ratiometric Fluorescence Probes.  ANALYTICAL CHEMISTRY,      [PMID:29363304] [10.1021/acs.analchem.7b04493]

3. Li Cui, Ren Gao, Qiaowei Zhang, Kun Jiang, Hongyan He, Wei-Lu Ding, Fangqin Cheng.  (2024)  Benzo-15-Crown-5 Functionalized Ionic Liquids with Enhanced Stability for Effective Separation of Lithium Isotopes: The Effect of Alkyl Chain Length.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c05171]

4. Zhongwen Su, Yonggang Peng, Ying Yu, Yujing Zhong, Junyue Zeng, Yikai Chen, Sekar Vijayakumar, Yangfan Mao, Lin Wang, Meihua Xin, Mingchun Li.  (2025)  Regulatory effects of different spacer alkyl chains on the in vitro antioxidant and antibacterial activities of chitosan quaternary ammonium/phosphonium salt derivatives.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40089231] [10.1016/j.ijbiomac.2025.142098]

5. Wenjun Chen, Rui Zhang, Xiaobo Hu, Jingsheng Ma, Duna Su, Chuanli Wu, Yanqiao Xu, Xiuxun Han.  (2025)  Synergistic Surface Modification of Bromocarboxylic Acid-Oleylamine Dual Ligands for Highly Stable and Luminescent CsPbBr3 Perovskite Nanocrystals.  MOLECULES,  31  (1): (127).  [PMID:41515421] [10.3390/molecules31010127]