Bis(4-chlorobutyl) Ether - ≥97%(GC) , CAS No.6334-96-9

CAS: 6334-96-9 Cat. No.: B152803 Fórmula: C₈H₁₆Cl₂O Peso molecular: 199.12 Número EC: 228-713-4

GRADE & PURITY ≥97%(GC)

Synonyms

4,4'-Dichlorodibutyl ether | DTXSID1064241 | InChI=1/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2 | Butane, 1,1'-oxybis(4-chloro- | Butane,1'-oxybis[4-chloro- | DLK2VTH5VP | SCHEMBL933534 | EINECS 228-713-4 | 4-Chloro-n-butyl ether | Di(chlorobutyl)ether | B

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4,4'-Dichlorodibutyl ether | DTXSID1064241 | InChI=1/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2 | Butane, 1,1'-oxybis(4-chloro- | Butane,1'-oxybis[4-chloro- | DLK2VTH5VP | SCHEMBL933534 | EINECS 228-713-4 | 4-Chloro-n-butyl ether | Di(chlorobutyl)ether | B

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488182787

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182787

Sonrisas canónicas

C(CCCl)COCCCCCl

IUPAC Name

1-chloro-4-(4-chlorobutoxy)butane

InChIKey

PVBMXMKIKMJQRK-UHFFFAOYSA-N

INCHI

1S/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2

Isómeros SMILES

C(CCCl)COCCCCCl

WGK Alemania

3

RTECS

KN0400000

Peso molecular

199.12

Reaxy-Rn

1739861

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739861&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.4580 to 1.4600
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 132°C/15mmHg
• Peso molecular: 199.110 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 198.058 Da
• Monoisotopic Mass: 198.058 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 61.100
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6334-96-9, the molecular formula is C8H16Cl2O, and the molecular weight is 199.12 g/mol. InChIKey PVBMXMKIKMJQRK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.