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

CAS: 6334-96-9 Cat. No.: B152803 Formula: C₈H₁₆Cl₂O Peso molecolare: 199.12 Numero 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

Sinonimi

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

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 488182787
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182787
• Sorrisi canonici: 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
• Isomeri SMILES: C(CCCl)COCCCCCl
• WGK Germania: 3
• RTECS: KN0400000
• Peso molecolare: 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
    • 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

• Indice di rifrazione: 1.4580 to 1.4600
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 132°C/15mmHg
• Peso molecolare: 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

Domande frequenti

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.