bis(3-chloropropyl) ether - ≥97% , CAS No.629-36-7

CAS: 629-36-7 Cat. No.: B194288 Fórmula: C₆H₁₂Cl₂O Peso molecular: 171.06

GRADE & PURITY ≥97%

Synonyms

DTXSID8060872 | 1,1'-Oxybis[3-chloropropane] | SY116045 | NSC6249 | NSC-6249 | Propane, 1,1'-oxybis(3-chloro- | Propane, 1,1'-oxybis[3-chloro- | bis-(3-chloro-propyl)-ether | 1-Chloro-3-(3-chloropropoxy)propane | 1-CHLORO-3-(3-CHLORO-PROPOXY)-PROPANE | 1-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID8060872 | 1,1'-Oxybis[3-chloropropane] | SY116045 | NSC6249 | NSC-6249 | Propane, 1,1'-oxybis(3-chloro- | Propane, 1,1'-oxybis[3-chloro- | bis-(3-chloro-propyl)-ether | 1-Chloro-3-(3-chloropropoxy)propane | 1-CHLORO-3-(3-CHLORO-PROPOXY)-PROPANE | 1-

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504752321

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752321

Sorrisos canónicos

C(COCCCCl)CCl

IUPAC Name

1-chloro-3-(3-chloropropoxy)propane

InChIKey

SMANNJALMIGASX-UHFFFAOYSA-N

INCHI

1S/C6H12Cl2O/c7-3-1-5-9-6-2-4-8/h1-6H2

SMILES isoméricas

C(COCCCCl)CCl

Peso molecular

171.06

Reaxy-Rn

1735686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735686&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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 171.060 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 170.027 Da
• Monoisotopic Mass: 170.027 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 44.300
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 629-36-7, the molecular formula is C6H12Cl2O, and the molecular weight is 171.06 g/mol. InChIKey SMANNJALMIGASX-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.