2,3-Dibromo-2-propen-1-ol - technical grade, ≥90%(GC), mixture of cis+trans , CAS No.7228-11-7

CAS: 7228-11-7 Cat. No.: D477121 Peso molecular: 215.87 Beilstein Registry Number: 1738231 Número EC: 230-629-8

GRADE & PURITY Technical grade, ≥90%(GC), mixture of cis+trans

Synonyms

2,3-Dibromo-2-propen-1-ol | 2,3-Dibromo-2-propen-1-ol(cis and trans) | SCHEMBL4630846 | EINECS 230-629-8 | 2,3-Dibromo-2-propen-1-ol, technical, (cis+trans), >=90% (GC) | 2-Propen-1-ol,2,3-dibromo-,(2Z)- | 2,3-Dibromoallyl alcohol | (Z)-2,3-dibromoprop-2-

Storage

Room temperature

Descripción general

Description

2,3-Dibromo-2-propen-1-ol (2,3-dibromoallyl alcohol) participates in [3,3]-sigmatropic rearrangement reactions.2,3-Dibromo-2-propen-1-ol may be used in chemical synthesis.

Specifications

Sinónimos

2, 3-Dibromo-2-propen-1-ol | 2, 3-Dibromo-2-propen-1-ol(cis and trans) | SCHEMBL4630846 | EINECS 230-629-8 | 2, 3-Dibromo-2-propen-1-ol, technical, (cis+trans), >=90% (GC) | 2-Propen-1-ol, 2, 3-dibromo-, (2Z)- | 2, 3-Dibromoallyl alcohol | (Z)-2, 3-dibromoprop-2-

Especificaciones y pureza

technical grade, ≥90%(GC), mixture of cis+trans

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Technical grade

Pureza

≥90%(GC)

Nombres e identificadores

• Sonrisas canónicas: C(C(=CBr)Br)O
• IUPAC Name: (Z)-2,3-dibromoprop-2-en-1-ol
• InChIKey: WMKYSVJWQJOFAN-IWQZZHSRSA-N
• INCHI: 1S/C3H4Br2O/c4-1-3(5)2-6/h1,6H,2H2/b3-1-
• Isómeros SMILES: C(/C(=C/Br)/Br)O
• Peso molecular: 215.87
• Beilstein: 1738231
• Reaxy-Rn: 1738231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Halohydrins
      • Subclass Bromohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Halohydrins
• Subclass: Bromohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromohydrins
• Alternative Parents: Vinyl bromides Bromoalkenes Primary alcohols Organobromides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromohydrin - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organobromide - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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

• Índice de refracción: n20/D 1.581
• Punto de inflamación (°F): 159.8 °F - closed cup
• Punto de inflamación (°C): 71 °C - closed cup
• Punto de ebullición (°C): 60-62℃/0.1mmHg (lit.)
• Peso molecular: 215.870 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 215.861 Da
• Monoisotopic Mass: 213.863 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 59.800
• 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