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Basic Description
| Synonyms | 4-CBC | 3663U0VKRI | AKOS000119223 | .OMEGA.-CHLOROBUTANOYL CHLORIDE | gamma-chlorobutyric acid chloride | EINECS 225-059-1 | 2-Ethenyl-1,3-dihydro-1,3-dioxoisoindole | BP-30169 | UNII-3663U0VKRI | ?-Chlorobutyryl chloride | Cyclopropylphenylmethanone | L |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
| Product Description |
It is a chloroacyl chloride. It undergoes coupling with 4-carboxyphenylboronic acid under standard Suzuki coupling conditions [Pd(PPh3)4, Na2CO3, DME/H2O] to give 2′-methyl-4′-(2-oxo-1-pyrrolidinyl)biphenyl-4-carboxylic acid.Synthesis of 4-chlorobutyryl chloride using γ-butyroctone has been reported. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organohalogen compounds
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Class
Acyl halides
- Subclass Acyl chlorides
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Class
Acyl halides
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Superclass
Organohalogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Acyl halides |
| Subclass | Acyl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acyl chlorides |
| Alternative Parents | Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | 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 |
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Names and Identifiers
| Pubchem Sid | 504755278 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755278 |
| IUPAC Name | 4-chlorobutanoyl chloride |
| INCHI | InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2 |
| InChIKey | CDIIZULDSLKBKV-UHFFFAOYSA-N |
| Smiles | C(CC(=O)Cl)CCl |
| Isomeric SMILES | C(CC(=O)Cl)CCl |
| WGK Germany | 1 |
| RTECS | EM1406000 |
| UN Number | 2922 |
| Molecular Weight | 141 |
| Beilstein | 773860 |
| Reaxy-Rn | 773860 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773860&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2506399 |
Certificate of Analysis | Jun 27, 2024 | C109449 |
| F2506421 |
Certificate of Analysis | Jun 27, 2024 | C109449 |
| K2425556 |
Certificate of Analysis | Jun 26, 2024 | C109449 |
| G2222261 |
Certificate of Analysis | Apr 15, 2024 | C109449 |
| G2222260 |
Certificate of Analysis | Apr 15, 2024 | C109449 |
| G2222259 |
Certificate of Analysis | Apr 15, 2024 | C109449 |
| G2222246 |
Certificate of Analysis | Apr 15, 2024 | C109449 |
| J2126460 |
Certificate of Analysis | Aug 16, 2023 | C109449 |
| J2126430 |
Certificate of Analysis | Aug 16, 2023 | C109449 |
| J2126462 |
Certificate of Analysis | Aug 16, 2023 | C109449 |
| J2126452 |
Certificate of Analysis | Aug 16, 2023 | C109449 |
| D2407068 |
Certificate of Analysis | Apr 12, 2023 | C109449 |
| G2102113 |
Certificate of Analysis | Apr 12, 2023 | C109449 |
| G2102115 |
Certificate of Analysis | Apr 12, 2023 | C109449 |
| G2102117 |
Certificate of Analysis | Apr 12, 2023 | C109449 |
| K2215082 |
Certificate of Analysis | Dec 01, 2022 | C109449 |
| A1909021 |
Certificate of Analysis | Sep 15, 2022 | C109449 |
| C2021080 |
Certificate of Analysis | Jan 21, 2022 | C109449 |
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Chemical and Physical Properties
| Solubility | Solubility in water: reacts. |
|---|---|
| Sensitivity | Moisture sensitive |
| Refractive Index | 1.461 |
| Flash Point(°F) | 185 °F |
| Flash Point(°C) | 85 °C |
| Boil Point(°C) | 173-174°C |
| Melt Point(°C) | -47°C |
| Molecular Weight | 140.990 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 139.98 Da |
| Monoisotopic Mass | 139.98 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 62.700 |
| 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 |
Citations of This Product
| 1. Chen Junye, Lu Guanbin, Zhang Yuan, Cheng Yuanrong, Xiao Fei. (2023) A hybrid additive with both suppressor and leveler capability for damascene copper electrodeposition. JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 34 (3): (1-10). |
| 2. Zhang Liuwei, Qian Ming, Wang Jingyun, Xia Jing, Cui Hongyan, Chen Qixian. (2019) Nitrophenyl-engaged photocleavage of an amphiphilic copolymer for spatiotemporally controlled drug release. JOURNAL OF MATERIALS SCIENCE, 54 (20): (13298-13313). |
| 3. Yu Lili, Yao Lin, Li Li, Liu Shaojing, Jia Zhengxuan, Wu Di. (2019) Photo-responsive polymeric micelles bearing ammonium salts cross-linked for efficient drug delivery. POLYMER BULLETIN, 76 (5): (2215-2231). |
| 4. Xin-Feng Zhang, Shu-Jing Yang, Hong-Wei Yao, Xu-Feng Chen, Xiao-Jun Zheng, Ze-Jing Li, Hai-Lin Cong. (2017) Research of fullerene grafting cellulose for functionalized hollow fiber membrane. INTEGRATED FERROELECTRICS, |
| 5. Yanru Hu, Peng Liu. (2024) Design of pH/Redox Co-Triggered Degradable Diselenide-Containing Polyprodrug via a Facile One-Pot Two-Step Approach for Tumor-Specific Chemotherapy. MOLECULES, 29 (16): (3837). |
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