196525

4-Bromothioanisole

97%

• Synonym(s): 4-Bromophenyl methyl sulfide
• Linear Formula: BrC₆H₄SCH₃
• CAS Number: 104-95-0
• Molecular Weight: 203.10
• EC Number: 203-255-8
• MDL number: MFCD00000102
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851767
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• bp: 128-130 °C/10 mmHg (lit.)
• mp: 38-40 °C (lit.)
• functional group: bromo; thioether
• SMILES string: CSc1ccc(Br)cc1
• InChI: 1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
• InChI key: YEUYZNNBXLMFCW-UHFFFAOYSA-N

Description

General description

4-Bromothioanisole undergoes Heck olefination reaction with styrenes to yield stilbenes.

Application

4-Bromothioanisole was used in the synthesis of:

• 4′-nitro-4-mercaptobiphenyl
• 4′-iodo-4-mercaptobiphenyl
• 3′-nitro-4-mercaptobiphenyl
• 3′-iodo-4-mercaptiobiphenyl
• (S)-(–)-p-bromophenyl methyl sulfoxide

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves