1,3-Dibromo-2,2-diméthoxypropane - ≥98%(GC) , CAS No.22094-18-4

CAS: 22094-18-4 Cat. No.: D155535 Formule: C₅H₁₀Br₂O₂ Poids moléculaire: 261.94 Numéro CE: 681-907-4

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

C5H10Br2O2 | AG120 Intermediates | 1,3-dibromo-2,2-dimethyoxypropane | MFCD00051792 | 1,3-dibromoacetone dimethylacetal | Propane, 1,3-dibromo-2,2-dimethoxy- | 1,3-Dibromo-2,2-dimethoxypropane | 1,3-Dibromo-2,2-dimethoxy-propane | EN300-43846 | AC-29184 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Spécifications

Synonymes

C5H10Br2O2 | AG120 Intermediates | 1,3-dibromo-2,2-dimethyoxypropane | MFCD00051792 | 1,3-dibromoacetone dimethylacetal | Propane, 1,3-dibromo-2,2-dimethoxy- | 1,3-Dibromo-2,2-dimethoxypropane | 1,3-Dibromo-2,2-dimethoxy-propane | EN300-43846 | AC-29184 |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504761082

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761082

Sourires canoniques

COC(CBr)(CBr)OC

IUPAC Name

1,3-dibromo-2,2-dimethoxypropane

InChIKey

CPAHOXOBYHMHDT-UHFFFAOYSA-N

INCHI

1S/C5H10Br2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3

Isomères SMILES

COC(CBr)(CBr)OC

Poids moléculaire

261.94

Reaxy-Rn

1698992

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698992&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Air Sensitive
• Point de fusion (°C): 65 °C
• Poids moléculaire: 261.940 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 261.903 Da
• Monoisotopic Mass: 259.905 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 67.400
• 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

Foire aux questions

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

This product is supplied at ≥98% 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 22094-18-4, the molecular formula is C5H10Br2O2, and the molecular weight is 261.94 g/mol. InChIKey CPAHOXOBYHMHDT-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.