3-(Chloromethyl)pentane - ≥95% , CAS No.4737-41-1

CAS: 4737-41-1 Cat. No.: C467301 Summenformel: (C₂H₅)₂CHCH₂Cl Molekulargewicht: 120.62 EG-Nummer: 627-909-0

GRADE & PURITY ≥95%

Synonyms

InChI=1/C6H13Cl/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3 | PQHNRODYYLFLRE-UHFFFAOYSA- | 3-chloromethylpentane | 2-ethyl-1-chlorobutane | 3-(Chloromethyl)pentane, 95% | AKOS000262235 | 2-ethyl-butyl chloride | SCHEMBL246805 | 3-(Chloromethyl)pentane | Pentane, 3-(ch

Storage

Room temperature

Specifications

Synonyme

InChI=1/C6H13Cl/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3 | PQHNRODYYLFLRE-UHFFFAOYSA- | 3-chloromethylpentane | 2-ethyl-1-chlorobutane | 3-(Chloromethyl)pentane, 95% | AKOS000262235 | 2-ethyl-butyl chloride | SCHEMBL246805 | 3-(Chloromethyl)pentane | Pentane, 3-(ch

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504756622

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756622

Kanonisches Lächeln

CCC(CC)CCl

IUPAC Name

3-(chloromethyl)pentane

InChIKey

PQHNRODYYLFLRE-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CCC(CC)CCl

WGK Deutschland

3

Molekulargewicht

120.62

Reaxy-Rn

1731173

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.423 (lit.)
• Flammpunkt (°F): 66.2 °F
• Flammpunkt (°C): 19 °C
• Siedepunkt (°C): 126-128 °C/753 mmHg (lit.)
• Molekulargewicht: 120.620 g/mol
• XLogP3: 2.900
• 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: 31.200
• 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