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 Molecular Weight: 215.87 Beilstein Registry Number: 1738231 EC Number: 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

Overview

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

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-

Specifications & Purity

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

Storage

Room temperature

Grade

Technical grade

Purity

≥90%(GC)

Names and Identifiers

• Canonical Smiles: 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-
• Isomeric SMILES: C(/C(=C/Br)/Br)O
• Molecular Weight: 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
    • Class Halohydrins
      • Subclass Bromohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: n20/D 1.581
• Flash Point(°F): 159.8 °F - closed cup
• Flash Point(°C): 71 °C - closed cup
• Boil Point(°C): 60-62℃/0.1mmHg (lit.)
• Molecular Weight: 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