2-(2-bromoetil)-1,3-dioxolanos - ≥90%(GC) , CAS No.18742-02-4

CAS: 18742-02-4 Cat. No.: B153144 Peso molecular: 181.03 Beilstein Registry Number: 103516 Número EC: 242-551-1

GRADE & PURITY ≥90%(GC)

Synonyms

bromoethyl-1,3-dioxolane | 1,1-(Ethylenedioxy)-3-bromopropane | 1-BROMO-3,3-(ETHYLENEDIOXY)PROPANE | 1,3-DIOXOLAN-2-YLETHYL BROMIDE | DTXSID40172058 | 2-(2-bromoethyl)-1,3-dioxolan | W-107771 | (2E)-2-cyano-3-phenylprop-2-enoic acid | 3,3-(ETHYLENEDIOXY)P

Storage

Protegido de la luz,Almacenar a -20°C,Cargado con argón

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

bromoethyl-1, 3-dioxolane | 1, 1-(Ethylenedioxy)-3-bromopropane | 1-BROMO-3, 3-(ETHYLENEDIOXY)PROPANE | 1, 3-DIOXOLAN-2-YLETHYL BROMIDE | DTXSID40172058 | 2-(2-bromoethyl)-1, 3-dioxolan | W-107771 | (2E)-2-cyano-3-phenylprop-2-enoic acid | 3, 3-(ETHYLENEDIOXY)P

Especificaciones y pureza

≥90%(GC)

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C, Cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥90%(GC)

Nombres e identificadores

• Pubchem Sid: 504755902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755902
• Sonrisas canónicas: C1COC(O1)CCBr
• IUPAC Name: 2-(2-bromoethyl)-1,3-dioxolane
• InChIKey: GGZQLTVZPOGLCC-UHFFFAOYSA-N
• INCHI: 1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2
• Isómeros SMILES: C1COC(O1)CCBr
• WGK Alemania: 2
• Peso molecular: 181.03
• Beilstein: 103516
• Reaxy-Rn: 103516
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103516&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 Sensitive,Air Sensitive,Heat Sensitive
• Índice de refracción: 1.48
• Punto de inflamación (°F): 149 °F
• Punto de inflamación (°C): 65 °C
• Punto de ebullición (°C): 73 °C/10 mmHg
• Peso molecular: 181.030 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.979 Da
• Monoisotopic Mass: 179.979 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 61.400
• 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

Referencias

1. Shengbo Zhu, Yangyang Zhu, Jin Chigan, Yuqiao Fu, Qiang Weng, Xiaoling Niu, Weixing Chen, Ran Chen, Xinbing Chen, Zhongwei An.  (2019)  The effect of terminal epoxy modification on the mesomorphic and thermal stability of biphenyl ester liquid crystals.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2019.1613693]