1-Bromo-3-chloro-2,2-dimethoxypropane - ≥95% , CAS No.22089-54-9

CAS: 22089-54-9 Cat. No.: B467201 Formula: ClCH₂C(OCH₃)₂CH₂Br Peso molecolare: 217.49 Numero EC: 623-228-8

GRADE & PURITY ≥95%

Synonyms

1-bromanyl-3-chloranyl-2,2-dimethoxy-propane | 1-Bromo-3-chloro-2,2-dimethoxypropane | 1-bromo-3-chloro-2,2-dimethoxy-propane | AC5630 | 1-Bromo-3-chloro-2,2-dimethoxypropane, 95% | MFCD00013684 | NSC298278 | NSC-298278 | DTXSID50315939 | FT-0638186 | SCH

Storage

Room temperature

Panoramica

Description

1-Bromo-3-chloro-2,2-dimethoxypropane may be used in chemical synthesis.

Specifications

Sinonimi

1-bromanyl-3-chloranyl-2,2-dimethoxy-propane | 1-Bromo-3-chloro-2,2-dimethoxypropane | 1-bromo-3-chloro-2,2-dimethoxy-propane | AC5630 | 1-Bromo-3-chloro-2,2-dimethoxypropane, 95% | MFCD00013684 | NSC298278 | NSC-298278 | DTXSID50315939 | FT-0638186 | SCH

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

COC(CCl)(CBr)OC

IUPAC Name

1-bromo-3-chloro-2,2-dimethoxypropane

InChIKey

FWGJNRCQZRSHGJ-UHFFFAOYSA-N

INCHI

1S/C5H10BrClO2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3

Isomeri SMILES

COC(CCl)(CBr)OC

WGK Germania

3

Peso molecolare

217.49

Reaxy-Rn

1361618

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361618&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: Organochlorides Organobromides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 217.490 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.955 Da
• Monoisotopic Mass: 215.955 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 75.400
• 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