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

グレード＆純度 Analytical standard, ≥99.8%(GC)

Synonyms

Propane, 1-chloro-|1-CHLOROPROPANE-1,1-D2|Propyl chloride|1-chloranylpropane|1-Chloro propane|1-CHLOROPROPANE|PROPYL CHLORIDE [MI]|PrCl|n-propylchloride|Chloropropane|Propyl chloride [UN1278] [Flammable liquid]|1-CHLOROPROPANE [HSDB]|Propane, chloro-|N-Propyl chloride

Storage

Room temperature

Shipped In

FedEx DG Service

仕様

同義語

Propane, 1-chloro- | 1-CHLOROPROPANE-1,1-D2 | Propyl chloride | 1-chloranylpropane | 1-Chloro propane | 1-CHLOROPROPANE | PROPYL CHLORIDE [MI] | PrCl | n-propylchloride | Chloropropane | Propyl chloride [UN1278] [Flammable liquid] | 1-CHLOROPROPANE [HSDB] | Propane, chloro- | N-Propyl chloride

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