4-Bromobutyryl chloride - ≥95% , CAS No.927-58-2

CAS: 927-58-2 Cat. No.: B102197 Summenformel: C₄H₆BrClO Molekulargewicht: 185.45 Beilstein Registry Number: 1743026 EG-Nummer: 213-154-0

GRADE & PURITY ≥95%

Synonyms

SCHEMBL94398 | 4-Bromobutanoyl chloride | MFCD00000753 | 4-bromanylbutanoyl chloride | EINECS 213-154-0 | 4-Bromobutyryl chloride, purum, >=98.0% (GC) | A845879 | Butyryl chloride, 4-bromo- | .gamma.-Bromobutyryl chloride | 4-Bromobutryl chloride | 6-[1-(

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

4-Bromobutyryl chloride is used as a precursor for the synthesis of carolic acid by reacting with ethoxymagnesiomalonic ester. It is widely utilized as an intermediate in organic synthesis and pharmaceuticals.

Specifications

Synonyme

SCHEMBL94398 | 4-Bromobutanoyl chloride | MFCD00000753 | 4-bromanylbutanoyl chloride | EINECS 213-154-0 | 4-Bromobutyryl chloride, purum, >=98.0% (GC) | A845879 | Butyryl chloride, 4-bromo- | .gamma.-Bromobutyryl chloride | 4-Bromobutryl chloride | 6-[1-(

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504754505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754505
• Kanonisches Lächeln: C(CC(=O)Cl)CBr
• IUPAC Name: 4-bromobutanoyl chloride
• InChIKey: LRTRXDSAJLSRTG-UHFFFAOYSA-N
• INCHI: 1S/C4H6BrClO/c5-3-1-2-4(6)7/h1-3H2
• Isomere SMILES: C(CC(=O)Cl)CBr
• WGK Deutschland: 3
• UN-Nummer: 3265
• Molekulargewicht: 185.45
• Beilstein: 1743026
• Reaxy-Rn: 1743026
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743026&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with organic solvents. Immiscible with water.
• Empfindlichkeit: Moisture & Light sensitive.
• Brechungsindex: 1.492
• Flammpunkt (°F): 195.8 °F
• Flammpunkt (°C): 91 °C
• Siedepunkt (°C): 101°C
• Molekulargewicht: 185.450 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 183.929 Da
• Monoisotopic Mass: 183.929 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.700
• 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

Referenzen

1. Lusi Zhang, Zhiyuan Ma, Ruili Wang, Weiwei Zuo, Meifang Zhu.  (2023)  Bis-quaternary ammonium betulin-based dimethacrylate: synthesis, characterization, and application in dental restorative resins.  Materials Advances,  4  (9): (2127-2137).  [PMID:] [10.1039/D3MA00016H]

2. Junfan Niu, Gang Tang, Jingyue Tang, Jiale Yang, Zhiyuan Zhou, Yunhao Gao, Xi Chen, Yuyang Tian, Yan Li, Jianqiang Li, Yongsong Cao.  (2021)  Functionalized Silver Nanocapsules with Improved Antibacterial Activity Using Silica Shells Modified with Quaternary Ammonium Polyethyleneimine as a Bacterial Cell-Targeting Agent.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34077226] [10.1021/acs.jafc.1c01930]

3. Yanxing Zheng, Jiwei Wang, Xinqiao Tang, Lei Zhang, Fanbao Meng.  (2019)  Liquid-crystalline behavior and ferroelectric property of viologen-based ionic liquid crystals.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.112369]

4. Ying Song, Xinqiao Tang, Shengwen Kong, Lu Bai, Xiaozhi He, Fanbao Meng.  (2018)  Synthesis and characterization of hexamethylenetetramine-based ionic liquid crystals.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2018.09.090]

5. Yiping Chen, Jing Cao, Xiaoxue Jiang, Zhizhen Pan, Nanyan Fu.  (2018)  A sensitive ratiometric fluorescence probe for chymotrypsin activity and inhibitor screening.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.06.021]

6. Qianqian Zheng, Yanwen Ren, Cuicui He, Jingjing Nie, Binyang Du.  (2025)  A Bipyridine-Ester Dual-Modified 2,2,6,6-Tetramethylpiperidin-1-oxyl Derivative for Aqueous Organic Redox Flow Batteries.  Materials,  18  (12): (2770).  [PMID:40572901] [10.3390/ma18122770]

7. Yunpeng Gao, Ran Chen, Kaojin Wang, Caihong Lin, Weimin Xiao, Qian Sun, Yukang Liu, Meng Zhang, Lin Wang, Yong-Guang Jia, Xiaoxia Zhu.  (2026)  Integration of Bile Acid-Based Facial Amphiphilicity and Lysine Chirality for Eradicating Drug-Resistant Bacteria.  Small,      [PMID:41607134] [10.1002/smll.202514941]