3-Chlorohexane - ≥95%(GC) , CAS No.2346-81-8

CAS: 2346-81-8 Cat. No.: C153662 分子式: C₆H₁₃Cl 分子量: 120.62 Beilstein Registry Number: 1(4)349 EC番号: 219-072-1

グレード＆純度 ≥95%(GC)

Synonyms

EINECS 271-741-7 | SCHEMBL483757 | BXSMMAVTEURRGG-UHFFFAOYSA-N | EINECS 219-072-1 | Hexane, 3-chloro- | DTXSID90870956 | FT-0634206 | MFCD00039350 | 3-Chlorohexane | 3-chloro-hexane | 3-Hexyl Chloride | AKOS009159001 | InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

EINECS 271-741-7 | SCHEMBL483757 | BXSMMAVTEURRGG-UHFFFAOYSA-N | EINECS 219-072-1 | Hexane, 3-chloro- | DTXSID90870956 | FT-0634206 | MFCD00039350 | 3-Chlorohexane | 3-chloro-hexane | 3-Hexyl Chloride | AKOS009159001 | InChI=1/C6H13Cl/c1-3-5-6(7)4-2/h6H,3

仕様と純度

≥95%(GC)

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%(GC)

名前と識別子

パブケム・シド

504753495

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753495

カノニカル・スマイル

CCCC(CC)Cl

IUPAC Name

3-chlorohexane

InChIKey

BXSMMAVTEURRGG-UHFFFAOYSA-N

INCHI

1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3

異性体SMILES

CCCC(CC)Cl

分子量

120.62

Beilstein

1(4)349

Reaxy-Rn

1731330

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731330&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

化学的性質と物理的性質

• 屈折率: 1.42
• 引火点（°C）: 25 °C
• 沸点（°C）: 123°C
• 分子量: 120.620 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 120.071 Da
• Monoisotopic Mass: 120.071 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1