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2,3-Dibromo-2-propen-1-ol - technical, (cis+trans), ≥90% (GC), high purity , CAS No.7228-11-7
Basic Description
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
Grade
technical grade
Product Description
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.
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
(Z)-2,3-dibromoprop-2-en-1-ol
INCHI
InChI=1S/C3H4Br2O/c4-1-3(5)2-6/h1,6H,2H2/b3-1-
InChIKey
WMKYSVJWQJOFAN-IWQZZHSRSA-N
Smiles
C(C(=CBr)Br)O
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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