2,3-Dibromopropene - technical grade, ≥85%(GC), stabilized with copper , CAS No.513-31-5

CAS: 513-31-5 Cat. No.: D113566 Molecular Weight: 199.87 Beilstein Registry Number: 878169 EC Number: 208-155-8

GRADE & PURITY Technical grade, stabilized with copper

Synonyms

.alpha.-Epidibromohydrin | 2,3-Dibromopropene, tech grade | Q27270231 | 2,3-Dibromopropene, 80%, technical grade | 2-Bromoallyl bromide | 2,3-Dibromopropene, stab. with copper | Propene,3-dibromo- | 1-Propene, 2,3-dibromo- | NSC-6200 | CCRIS 6712 | WLN: E

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

.alpha.-Epidibromohydrin | 2, 3-Dibromopropene, tech grade | Q27270231 | 2, 3-Dibromopropene, 80%, technical grade | 2-Bromoallyl bromide | 2, 3-Dibromopropene, stab. with copper | Propene, 3-dibromo- | 1-Propene, 2, 3-dibromo- | NSC-6200 | CCRIS 6712 | WLN: E

Specifications & Purity

technical grade, ≥85%(GC), stabilized with copper

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Technical grade

Names and Identifiers

• Canonical Smiles: C=C(CBr)Br
• IUPAC Name: 2,3-dibromoprop-1-ene
• InChIKey: YMFWYDYJHRGGPF-UHFFFAOYSA-N
• INCHI: 1S/C3H4Br2/c1-3(5)2-4/h1-2H2
• Isomeric SMILES: C=C(CBr)Br
• WGK Germany: 3
• RTECS: UC8200000
• Molecular Weight: 199.87
• Beilstein: 878169
• Reaxy-Rn: 878169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878169&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 Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromoalkene - Haloalkene - Vinyl bromide - Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - 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: 1.537-1.547
• Flash Point(°F): 177.8 °F
• Flash Point(°C): 81℃
• Boil Point(°C): 141°C
• Molecular Weight: 199.870 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 199.866 Da
• Monoisotopic Mass: 197.868 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 40.200
• 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. Lei Li, Shihui Li, Dongmei Cui.  (2016)  Highly Cis-1,4-Selective Living Polymerization of 3-Methylenehepta-1,6-diene and Its Subsequent Thiol–Ene Reaction: An Efficient Approach to Functionalized Diene-Based Elastomer.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.5b02654]