1-Chloro-4-methoxybutane - ≥98% , CAS No.17913-18-7

CAS: 17913-18-7 Cat. No.: C665254 Summenformel: C₅H₁₁ClO Molekulargewicht: 122.59 EG-Nummer: 241-858-8

GRADE & PURITY ≥98%

Synonyms

4-Chlorobutyl methyl ether | Butane, 1-chloro-4-methoxy- | Ether, 4-chlorobutyl methyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

4-Chlorobutyl methyl ether | Butane, 1-chloro-4-methoxy- | Ether, 4-chlorobutyl methyl

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528754480

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754480

Kanonisches Lächeln

COCCCCCl

IUPAC Name

1-chloro-4-methoxybutane

InChIKey

DFLRARJQZRCCKN-UHFFFAOYSA-N

INCHI

1S/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3

Isomere SMILES

COCCCCCl

Alternative CAS-Nummer

17913-18-7

NSC-Nummer

83550

Molekulargewicht

122.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

• Siedepunkt (°C): 142.5-142.8 °C at 760 mmHg
• Molekulargewicht: 122.590 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 122.05 Da
• Monoisotopic Mass: 122.05 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 31.300
• 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