2-Bromomethyl-1,3-dioxolane - ≥95%(GC) , CAS No.4360-63-8

CAS: 4360-63-8 Cat. No.: B153145 Fórmula: C₄H₇BrO₂ Peso molecular: 167 Beilstein Registry Number: 103309 Número EC: 224-443-6

GRADE & PURITY ≥95%(GC)

Synonyms

(1,3-dioxolan-2-yl)methylbromide | 2-bromomethyl-1,3-dioxolan | (1,3-Dioxolan-2-yl)methyl bromide | 2-(bromomethyl)-1,3-dioxolane | A826339 | 2-bromomethyl-[1,3]dioxolane | Ketone, methyl 3-phenanthryl | 2Y6GD4KRT7 | O10502 | 2-Bromomethyl-1,3-dioxolane |

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

2-Bromomethyl-1,3-dioxolane was used in the synthesis of 1,4-benzoxazepine (BZO) compounds.

Specifications

Sinónimos

(1,3-dioxolan-2-yl)methylbromide | 2-bromomethyl-1,3-dioxolan | (1,3-Dioxolan-2-yl)methyl bromide | 2-(bromomethyl)-1,3-dioxolane | A826339 | 2-bromomethyl-[1,3]dioxolane | Ketone, methyl 3-phenanthryl | 2Y6GD4KRT7 | O10502 | 2-Bromomethyl-1,3-dioxolane |

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

Pubchem Sid

488185505

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185505

Sonrisas canónicas

C1COC(O1)CBr

IUPAC Name

2-(bromomethyl)-1,3-dioxolane

InChIKey

CKIIJIDEWWXQEA-UHFFFAOYSA-N

INCHI

1S/C4H7BrO2/c5-3-4-6-1-2-7-4/h4H,1-3H2

Isómeros SMILES

C1COC(O1)CBr

WGK Alemania

3

Peso molecular

167

Beilstein

103309

Reaxy-Rn

103309

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxolanes
• Subclass: 1,3-dioxolanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxolanes
• Alternative Parents: Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-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

Propiedades químicas y físicas

• Sensibilidad: Light & Moisture Sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°F): 143.6 °F
• Punto de inflamación (°C): 62°C(lit.)
• Punto de ebullición (°C): 175 °C
• Peso molecular: 167.000 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.963 Da
• Monoisotopic Mass: 165.963 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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

Preguntas frecuentes

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4360-63-8, the molecular formula is C4H7BrO2, and the molecular weight is 167 g/mol. InChIKey CKIIJIDEWWXQEA-UHFFFAOYSA-N.

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

This product is supplied at ≥95% 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 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.