Description

2-Bromothioanisole (CAS No. 19614-16-5) is a high-purity organosulfur compound with the molecular formula C₇H₇BrS, widely utilized in synthetic organic chemistry and pharmaceutical research. This compound, also known by its IUPAC name 1-bromo-2-methylsulfanylbenzene, features a bromine substituent adjacent to a methylthio group on a benzene ring, making it a versatile intermediate for cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for researchers developing novel heterocyclic compounds, ligands, or bioactive molecules, this reagent is a critical building block in medicinal chemistry, agrochemical synthesis, and materials science applications.

Properties

• CAS Number: 19614-16-5
• Complexity: 85
• IUPAC Name: 1-bromo-2-methylsulfanyl-benzene
• InChI: InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
• InChI Key: ALAQDUSTXPEHMH-UHFFFAOYSA-N
• Exact Mass: 201.94518
• Molecular Formula: C7H7BrS
• Molecular Weight: 203.10
• SMILES: CSC1=CC=CC=C1Br
• Topological: 25.3
• Monoisotopic Mass: 201.94518
• Synonyms: 2-Bromothioanisole, 19614-16-5, o-Bromothioanisole, 1-Bromo-2-(methylthio)benzene, Benzene, 1-bromo-2-(methylthio)-, o-Bromo(methylthio)benzene, 2-(METHYLTHIO)BROMOBENZENE, EXS3LF9T6E, 1-bromo-2-methylthiobenzene, EINECS 243-183-4, o-Bromophenyl methyl sulfide, Sulfide, o-bromophenyl methyl, DTXSID70173275, 2-(METHYLTHIO)PHENYL BROMIDE, DTXCID4095766, 243-183-4, alaqdustxpehmh-uhfffaoysa-n, inchi=1/c7h7brs/c1-9-7-5-3-2-4-6(7)8/h2-5h,1h, 1-Bromo-2-(methylsulfanyl)benzene, (2-bromophenyl)(methyl)sulfane, 1-bromo-2-methylsulfanylbenzene, 2-Bromophenyl methyl sulfide, 1-Bromo-2-methylsulfanyl-benzene, MFCD00000066, bromothioanisole, 2-bromo-thioanisole, ortho-bromothioanisole, UNII-EXS3LF9T6E, 2-Bromothioanisole, 97%, 1-methylthio-2-bromobenzene, SCHEMBL457212, SCHEMBL890738, SCHEMBL1145380, SCHEMBL2972827, SCHEMBL2972829, 1-bromo-2-(methylthio) benzene, SBB006566, 1-Bromo-2-(methylsulfanyl)benzene #, AKOS015835166, PS-4724, DB-044926, B2023, CS-0150107, NS00026384, ST50405116, EN300-79479, D78172

Application

2-Bromothioanisole serves as a key precursor in the synthesis of thioether-containing pharmaceuticals and functional materials. It is commonly employed in palladium-catalyzed cross-coupling reactions to construct complex aryl sulfide scaffolds. Researchers also utilize it to modify electronic properties of conjugated systems in OLED and semiconductor research. Its stability and reactivity make it suitable for controlled functionalization in multi-step synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (95.7%)

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