cis-1-Bromo-2-ethoxyethylene - technical grade, ≥85%(GC) , CAS No.23521-49-5

CAS: 23521-49-5 Cat. No.: C432351 Molecular Weight: 151 EC Number: 245-712-4

GRADE & PURITY Technical grade

Synonyms

Ethyl (2R,3S)-2-tert-butyloxycarbonylamino-3-phenyl-3-hydroxypropanoate | cis-1-Bromo-2-ethoxyethylene, technical, ~85% (GC) | BBL103843 | NSC617631 | NSC-617631 | SCHEMBL376777 | STL557653 | 1-Bromo-2-ethoxyethyl-(Z)-ene | (Z)-1-bromo-2-ethoxyethene | J-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Other Notes

Used to prepare the lithium compound

Specifications

Synonyms

Ethyl (2R, 3S)-2-tert-butyloxycarbonylamino-3-phenyl-3-hydroxypropanoate | cis-1-Bromo-2-ethoxyethylene, technical, ~85% (GC) | BBL103843 | NSC617631 | NSC-617631 | SCHEMBL376777 | STL557653 | 1-Bromo-2-ethoxyethyl-(Z)-ene | (Z)-1-bromo-2-ethoxyethene | J-

Specifications & Purity

technical grade, ≥85%(GC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Technical grade

Names and Identifiers

• Canonical Smiles: CCOC=CBr
• IUPAC Name: (Z)-1-bromo-2-ethoxyethene
• InChIKey: BCFCTTHZFYZOHT-ARJAWSKDSA-N
• INCHI: 1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3/b4-3-
• Isomeric SMILES: CCO/C=C\Br
• Molecular Weight: 151
• Reaxy-Rn: 1738200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738200&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl bromides
• Alternative Parents: Bromoalkenes Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromoalkene - Haloalkene - Vinyl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as vinyl bromides. These are vinyl halides in which a bromine atom is bonded to an sp2-hybridised carbon atom.
• 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

• Refractive Index: 1.474
• Flash Point(°F): 52 °C
• Flash Point(°C): 52°C
• Boil Point(°C): 139-142 °C
• Molecular Weight: 151.000 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.968 Da
• Monoisotopic Mass: 149.968 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 42.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1