1-Bromo-2-methyl-1-propene - ≥98% , CAS No.3017-69-4

CAS: 3017-69-4 Cat. No.: B163037 Molecular Weight: 135.00 Beilstein Registry Number: 1733844 EC Number: 629-499-9

GRADE & PURITY ≥98%

Synonyms

1-Bromo-2-methylprophene | 1-Propene, 1-bromo-2-methyl- | ethyl sulfate sodium salt | AKOS015841776 | sodium;4-propan-2-ylbenzenesulfonate | DTXSID40184252 | isobutenyl bromide | EN300-91906 | SCHEMBL51629 | Solu-Medrol | beta,beta-Dimethylvinylbromide |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1-Bromo-2-methyl-1-propene has been used in: . preparation of esters of 2,4-dienoic acids via palladium catalyzed reaction with methyl acrylate in the presence of triethylamine . total synthesis of ocular age pigment, A2-E . synthesis of 3-nor-geraniol [2H2]

Specifications

Synonyms

1-Bromo-2-methylprophene | 1-Propene, 1-bromo-2-methyl- | ethyl sulfate sodium salt | AKOS015841776 | sodium;4-propan-2-ylbenzenesulfonate | DTXSID40184252 | isobutenyl bromide | EN300-91906 | SCHEMBL51629 | Solu-Medrol | beta, beta-Dimethylvinylbromide |

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187129
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187129
• Canonical Smiles: CC(=CBr)C
• IUPAC Name: 1-bromo-2-methylprop-1-ene
• InChIKey: DEFNUDNHTUZJAL-UHFFFAOYSA-N
• INCHI: 1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3
• Isomeric SMILES: CC(=CBr)C
• WGK Germany: 3
• UN Number: 1993
• Packing Group: II
• Molecular Weight: 135.00
• Beilstein: 1733844
• Reaxy-Rn: 1733844
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733844&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Vinyl halides
      • Subclass Vinyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Vinyl halides
• Subclass: Vinyl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl bromides
• Alternative Parents: Bromoalkenes Organobromides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromoalkene - Haloalkene - Vinyl bromide - Hydrocarbon derivative - Organobromide - Aliphatic acyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Refractive Index: 1.462
• Flash Point(°F): 44.6 °F
• Flash Point(°C): 7 °C
• Boil Point(°C): 92 °C
• Molecular Weight: 135.000 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 133.973 Da
• Monoisotopic Mass: 133.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 41.600
• 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