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

CAS: 540-54-5 Cat. No.: C109187 Molecular Weight: 78.54 Beilstein Registry Number: 1730771 EC Number: 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

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

Specifications & Purity

analytical standard, ≥99.8%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Purity

≥99.8%(GC)

Names and Identifiers

• Canonical Smiles: CCCCl
• IUPAC Name: 1-chloropropane
• InChIKey: SNMVRZFUUCLYTO-UHFFFAOYSA-N
• INCHI: 1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
• Isomeric SMILES: CCCCl
• WGK Germany: 3
• RTECS: TX4400000
• UN Number: 1278
• Packing Group: II
• Molecular Weight: 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
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water, soluble in ethanol and ether.
• Refractive Index: 1.3884
• Flash Point(°F): -.4 °F
• Flash Point(°C): 18℃
• Boil Point(°C): 46.60°C
• Melt Point(°C): -122.8°C
• Molecular Weight: 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

References

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]