2,3-Dibromopropene - ≥95%(GC), contains Copper scrap as stabilizer , CAS No.513-31-5

CAS: 513-31-5 Cat. No.: D113567 Peso molecular: 199.87 Beilstein Registry Number: 878169 Número EC: 208-155-8

GRADE & PURITY ≥95%(GC), contains Copper scrap as stabilizer

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 -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

General description：

2,3-Dibromopropene is an intermediate formed during the hydrolysis of nematocide:1,2-dibromo-3-chloropropane.

application：

2,3-Dibromopropene was used to test 2- and 3-carbon halogenated hydrocarbons for mutagenicity for Salmonella typhimurium strain TA 100 . It was used in the synthesis of N(Boc)-L-(2-Bromoallyl)-glycine.

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

Especificaciones y pureza

≥95%(GC), contains Copper scrap as stabilizer

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504751966
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751966
• Sonrisas canónicas: 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
• Isómeros SMILES: C=C(CBr)Br
• WGK Alemania: 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
    • Clase Vinyl halides
      • Subclass Vinyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Miscible with chloroform, ether and acetone. Immiscible with water.
• Sensibilidad: Sensitive to air; sensitive to heat
• Índice de refracción: 1.537-1.547
• Punto de inflamación (°F): 177.8 °F
• Punto de inflamación (°C): 81℃
• Punto de ebullición (°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

Referencias

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]