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

CAS: 4360-63-8 Cat. No.: B153145 Formule: C₄H₇BrO₂ Poids moléculaire: 167 Beilstein Registry Number: 103309 Numéro CE: 224-443-6

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

(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 |

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

488185505

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1COC(O1)CBr

WGK Allemagne

3

Poids moléculaire

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
    • Classe Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light & Moisture Sensitive
• Indice de réfraction: 1.48
• Point d'éclair (°F): 143.6 °F
• Point d'éclair (°C): 62°C(lit.)
• Point d'ébullition (°C): 175 °C
• Poids moléculaire: 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

Foire aux questions

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.