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

CAS: 513-31-5 Cat. No.: D113566 Fórmula: C₃H₄Br₂ Peso molecular: 199.87 Beilstein Registry Number: 878169 Número CE: 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

Sinónimos

.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

Especificações e pureza

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

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Technical grade

Nomes e identificadores

• Pubchem Sid: 508807646
• Sorrisos canónicos: 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
• SMILES isoméricas: C=C(CBr)Br
• WGK Alemanha: 3
• RTECS: UC8200000
• Peso molecular: 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
    • Classe Vinyl halides
      • Subclass Vinyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.537-1.547
• Ponto de inflamação (°F): 177.8 °F
• Ponto de inflamação (°C): 81℃
• Ponto de ebulição (°C): 141°C
• Peso molecular: 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

Referências

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]