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

CAS: 17913-18-7 Cat. No.: C665254 Formula: C₅H₁₁ClO Peso molecolare: 122.59 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528754480

Pubchem Sid Url

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

Sorrisi canonici

COCCCCCl

IUPAC Name

1-chloro-4-methoxybutane

InChIKey

DFLRARJQZRCCKN-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

COCCCCCl

CAS alternativo

17913-18-7

Numero NSC

83550

Peso molecolare

122.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 142.5-142.8 °C at 760 mmHg
• Peso molecolare: 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