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

CAS: 18742-02-4 Cat. No.: B153144 Molecular Weight: 181.03 Beilstein Registry Number: 103516 EC Number: 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

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

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

Specifications & Purity

≥90%(GC)

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%(GC)

Names and Identifiers

• Pubchem Sid: 504755902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755902
• Canonical Smiles: 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
• Isomeric SMILES: C1COC(O1)CCBr
• WGK Germany: 2
• Molecular Weight: 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
    • Class Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Refractive Index: 1.48
• Flash Point(°F): 149 °F
• Flash Point(°C): 65 °C
• Boil Point(°C): 73 °C/10 mmHg
• Molecular Weight: 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

References

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]