2-(3-Bromophenyl)-1,3-dioxolane - ≥97%(GC) , CAS No.17789-14-9

CAS: 17789-14-9 Cat. No.: B153152 Peso molecular: 229.07 Número EC: 241-766-8

GRADE & PURITY ≥97%(GC)

Synonyms

2-(3-Bromo-phenyl)-[1,3]dioxolane | 2-(3-bromophenyl)-[1,3]dioxolane | 1-bromo-3-(1,3-dioxolan-2-yl)benzene | 2-(3-bromophenyl)-1,3-dioxaolane | B2098 | 1,3-Dioxolane, 2-(m-bromophenyl)- | AKOS015834646 | AB00303 | Q-103445 | FT-0615193 | 2-(3-Bromophenyl

Storage

Room temperature

Shipped In

Normal

Descripción general

2-(3-Bromophenyl)-1,3-dioxolane was used in the synthesis of acetal by arylation of 1-benzylpiperidin-4-amine

Specifications

Sinónimos

2-(3-Bromo-phenyl)-[1, 3]dioxolane | 2-(3-bromophenyl)-[1, 3]dioxolane | 1-bromo-3-(1, 3-dioxolan-2-yl)benzene | 2-(3-bromophenyl)-1, 3-dioxaolane | B2098 | 1, 3-Dioxolane, 2-(m-bromophenyl)- | AKOS015834646 | AB00303 | Q-103445 | FT-0615193 | 2-(3-Bromophenyl

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488186413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186413
• Sonrisas canónicas: C1COC(O1)C2=CC(=CC=C2)Br
• IUPAC Name: 2-(3-bromophenyl)-1,3-dioxolane
• InChIKey: VYPYKCPWNPPBBX-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2
• Isómeros SMILES: C1COC(O1)C2=CC(=CC=C2)Br
• WGK Alemania: 3
• Peso molecular: 229.07
• Reaxy-Rn: 1344030
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1344030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides 1,3-dioxolanes Oxacyclic compounds Acetals Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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 Sensitive
• Índice de refracción: 1.56
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 132-133℃
• Peso molecular: 229.070 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 227.979 Da
• Monoisotopic Mass: 227.979 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• 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