CAS 172319-76-5

2-Bromo-3,5-dimethylthiophene

Description:

2-Bromo-3,5-dimethylthiophene is a heterocyclic organic compound characterized by a five-membered aromatic ring containing sulfur, specifically a thiophene structure. The presence of bromine and two methyl groups at the 3 and 5 positions of the thiophene ring contributes to its unique chemical properties. This compound is typically a pale yellow to brown liquid or solid, depending on its form and purity. It exhibits moderate solubility in organic solvents, making it useful in various chemical reactions and applications, particularly in the synthesis of more complex organic molecules. The bromine atom serves as a versatile functional group for further chemical modifications, such as nucleophilic substitution reactions. Additionally, the methyl groups can influence the compound's electronic properties and reactivity. 2-Bromo-3,5-dimethylthiophene is of interest in fields such as organic synthesis, materials science, and potentially in the development of pharmaceuticals or agrochemicals due to its structural characteristics and reactivity.

Formula: C₆H₇BrS

InChI: InChI=1S/C6H7BrS/c1-4-3-5(2)8-6(4)7/h3H,1-2H3

InChI key: InChIKey=RKANUDQVJZLGOO-UHFFFAOYSA-N

SMILES: CC1=C(Br)SC(C)=C1

Synonyms:

• Thiophene, 2-bromo-3,5-dimethyl-
• 2-Bromo-3,5-dimethylthiophene

2-Bromo-3,5-dimethylthiophene

CAS: 172319-76-5

2-Bromo-3,5-dimethylthiophene is a functional molecule that can switch between two structural isomers, a cis and trans form. The cis form is thermodynamically more stable than the trans form. In the cis form, the bromine atom of 2-bromo-3,5-dimethylthiophene interacts with the ruthenium atom to stabilize the molecule. The trans form features an acetylide group (a triple bond) which absorbs light at a different wavelength than the cis form. When irradiated with light of a specific wavelength, this group switches from trans to cis, causing an electronic interaction in which the photochromism occurs.

Formula: C₆H₇BrS

Purity: Min. 95%

Molecular weight: 191.09 g/mol

Ref: 3D-FB168681