1-Bromo-2-(methoxymethoxy)ethane - ≥98% , CAS No.112496-94-3

CAS: 112496-94-3 Cat. No.: B165961 Formule: C₄H₉BrO₂ Poids moléculaire: 169.02

GRADE & PURITY ≥98%

Synonyms

Ethane, 1-bromo-2-(methoxymethoxy)- | FT-0658641 | 1-Bromo-2-(methoxymethoxy)ethane 98 | SCHEMBL137218 | 1-Bromo-2-(methoxymethoxy)ethane | 1-bromo-2-methoxymethoxy-ethane | A802588 | AKOS024462442 | 2-methoxymethoxyethyl bromide | J-002784 | DTXSID00391

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Ethane, 1-bromo-2-(methoxymethoxy)- | FT-0658641 | 1-Bromo-2-(methoxymethoxy)ethane 98 | SCHEMBL137218 | 1-Bromo-2-(methoxymethoxy)ethane | 1-bromo-2-methoxymethoxy-ethane | A802588 | AKOS024462442 | 2-methoxymethoxyethyl bromide | J-002784 | DTXSID00391

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488194359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194359
• Sourires canoniques: COCOCCBr
• IUPAC Name: 1-bromo-2-(methoxymethoxy)ethane
• InChIKey: HRKGXDSPQAOGBB-UHFFFAOYSA-N
• INCHI: 1S/C4H9BrO2/c1-6-4-7-3-2-5/h2-4H2,1H3
• Isomères SMILES: COCOCCBr
• WGK Allemagne: 3
• Poids moléculaire: 169.02
• Reaxy-Rn: 1733482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733482&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: Acetals
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive.
• Indice de réfraction: n20/D 1.480
• Point d'éclair (°F): 147.2 °F
• Point d'éclair (°C): 64 °C
• Point d'ébullition (°C): 116-117 °C
• Poids moléculaire: 169.020 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 167.979 Da
• Monoisotopic Mass: 167.979 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 32.900
• 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