2-(2-bromoetil)-1,3-diossano - ≥98% , CAS No.33884-43-4

CAS: 33884-43-4 Cat. No.: B113749 Formula: C₆H₁₁BrO₂ Peso molecolare: 195.05 Beilstein Registry Number: 1421628 Numero EC: 251-716-7

GRADE & PURITY ≥98%

Synonyms

3-Bromopropionaldehyde trimethylene acetal | 1,3-Dioxane, 2-(2-bromoethyl)-; 2-(2-bromoethyl)-3-dioxane;3-Bromopropionaldehyde trimethylene acetal | AKOS015836230 | 2-(2-Bromoethyl)-1,3-dioxane, 98% | FT-0608433 | WMDHQEHPOVOEOG-UHFFFAOYSA- | MFCD00006567

Storage

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Shipped In

Ghiaccio umido

Panoramica

applicazione: il

il 2-(2-bromoetil)-1,3-diossano è stato utilizzato per la sintesi degli addotti chetonici 2-[3-osso-4(S)-(trifenilmetil)amino-6-metiletile]-1,3-diossano e 2-[3-osso-4(S)-(trifenilmetil)amino-6-metiletile]-1,3-diossano.

Specifications

Sinonimi

3-Bromopropionaldehyde trimethylene acetal | 1,3-Dioxane, 2-(2-bromoethyl)-; 2-(2-bromoethyl)-3-dioxane;3-Bromopropionaldehyde trimethylene acetal | AKOS015836230 | 2-(2-Bromoethyl)-1,3-dioxane, 98% | FT-0608433 | WMDHQEHPOVOEOG-UHFFFAOYSA- | MFCD00006567

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, al riparo dalla luce, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508807858
• Sorrisi canonici: C1COC(OC1)CCBr
• IUPAC Name: 2-(2-bromoethyl)-1,3-dioxane
• InChIKey: WMDHQEHPOVOEOG-UHFFFAOYSA-N
• INCHI: 1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
• Isomeri SMILES: C1COC(OC1)CCBr
• WGK Germania: 3
• Peso molecolare: 195.05
• Beilstein: 1421628
• Reaxy-Rn: 1421628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dioxanes
      • Subclass 1,3-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dioxanes
• Subclass: 1,3-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxanes
• Alternative Parents: Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
• 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

• Solubilità: ethanol: soluble 50 (μg/mL)
• Sensibilità: Light Sensitive；Air Sensitive；Heat sensitive
• Indice di rifrazione: 1.481
• Punto di infiammabilità (°F): 206.6 °F
• Punto di infiammabilità (°C): 96°C
• Punto di ebollizione (°C): 67-70°C
• Peso molecolare: 195.050 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 193.994 Da
• Monoisotopic Mass: 193.994 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 71.500
• 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