1-Chloropropane - analytical standard, ≥99.8%(GC) , CAS No.540-54-5

CAS: 540-54-5 Cat. No.: C109187 分子式: C₃H₇Cl 分子量: 78.54 Beilstein Registry Number: 1730771 EC番号: 208-749-7

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

1-CHLOROPROPANE|540-54-5|Propyl chloride|N-Propyl chloride|Propane, 1-chloro-|Chloropropane|Propane, chloro-|1-CHLORO-PROPANE|TUV7462NWK|26446-76-4|n-propylchloride|1-CHLOROPROPANE-1,1-D2|HSDB 5681|EINECS 208-749-7|UN1278|UNII-TUV7462NWK|BRN 1730771|AI3-2

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

1-CHLOROPROPANE | 540-54-5 | Propyl chloride | N-Propyl chloride | Propane, 1-chloro- | Chloropropane | Propane, chloro- | 1-CHLORO-PROPANE | TUV7462NWK | 26446-76-4 | n-propylchloride | 1-CHLOROPROPANE-1,1-D2 | HSDB 5681 | EINECS 208-749-7 | UN1278 | UNII-TUV7462NWK | BRN 1730771 | AI3-2

仕様と純度

analytical standard, ≥99.8%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

純度

≥99.8%(GC)

名前と識別子

• パブケム・シド: 528772615
• カノニカル・スマイル: CCCCl
• IUPAC Name: 1-chloropropane
• InChIKey: SNMVRZFUUCLYTO-UHFFFAOYSA-N
• INCHI: 1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
• 異性体SMILES: CCCCl
• WGKドイツ: 3
• RTECS: TX4400000
• UN番号: 1278
• 包装グループ: II
• 分子量: 78.54
• Beilstein: 1730771
• Reaxy-Rn: 1730771
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730771&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, soluble in ethanol and ether.
• 屈折率: 1.3884
• 引火点（°F）: -.4 °F
• 引火点（°C）: 18℃
• 沸点（°C）: 46.60°C
• 融点（°C）: -122.8°C
• 分子量: 78.540 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 78.0236 Da
• Monoisotopic Mass: 78.0236 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 7.200
• 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

参考文献

1. Fujie Yang, Qingfeng Liu, Wenfei Xie, Pu Xie, Jingqi Shang, Xugang Shu.  (2022)  High-Content Lithium Aluminum Titanium Phosphate-Based Composite Solid Electrolyte with Poly(ionic liquid) Binder.  Polymers,  14  (7): (1274).  [PMID:35406148] [10.3390/polym14071274]

2. Leyuan Zhang, Liang Chen, Hao Luo, Xufeng Zhou, Zhaoping Liu.  (2017)  Large-Sized Few-Layer Graphene Enables an Ultrafast and Long-Life Aluminum-Ion Battery.  Advanced Energy Materials,  7  (15): (1700034).  [PMID:] [10.1002/aenm.201700034]

3. Dai Jianxiong, Zhao Zhongjun, Liang Gaoling, Duan Yixiang.  (2017)  A Novel Microwave-Induced Plasma Ionization Source for Ion Mobility Spectrometry.  Scientific Reports,  7  (1): (1-9).  [PMID:28287097] [10.1038/srep44051]

4. Hongxing He, Xintao Yang, Shunfei Li, Ying Xu, Siqing Ye, Mingyang Xiong, Ni Yang, Changgen Feng, Yi Zhang, Zhifeng Nie.  (2025)  Quaternary amine-functionalized electrospun nanofibers for selective gold capture: Experimental and DFT calculation study.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.133945]