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196525

Sigma-Aldrich

4-Bromothioanisole

97%

Synonym(s):

4-Bromophenyl methyl sulfide

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About This Item

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
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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

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General description

4-Bromothioanisole undergoes Heck olefination reaction with styrenes to yield stilbenes[1].

Application

4-Bromothioanisole was used in the synthesis of:
  • 4′-nitro-4-mercaptobiphenyl[2]
  • 4′-iodo-4-mercaptobiphenyl[2]
  • 3′-nitro-4-mercaptobiphenyl[2]
  • 3′-iodo-4-mercaptiobiphenyl[2]
  • (S)-(–)-p-bromophenyl methyl sulfoxide[3]

Pictograms

Exclamation mark
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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB0760
STBK3382
STBJ7427
STBJ2921
STBH5671

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Novel 1, 2-diarylcyclobutenes: Selective and orally active COX-2 inhibitors.
Friesen RW, et al.
Bioorganic & Medicinal Chemistry Letters, 6(22), 2677-2682 (1996)
Enantioselective Oxidation of an Alkyl Aryl Sulfide: Synthesis of (S)-(-)-Methyl P-Bromophenyl Sulfoxide.
Drago C, et al.
Organic Syntheses, 86, 121-129 (2009)
Rupa Hiremath et al.
Chemical communications (Cambridge, England), (23)(23), 2676-2677 (2004-11-30)
Orthorhombic and triclinic crystals of 2-iodo-4-nitroaniline (INA) grow concomitantly from supersaturated ethanol solutions, but the less stable orthorhombic phase can be selectively grown on 3'-X-4-mercaptobiphenyl (X = NO(2), I) self-assembled monolayer templates.
Isolation of S-(bromophenyl)cysteine isomers from liver proteins of bromobenzene-treated rats.
P E Weller et al.
Chemical research in toxicology, 4(1), 17-20 (1991-01-01)
Vasiliy Yu Evtushok et al.
Frontiers in chemistry, 7, 858-858 (2020-01-11)
In this work, we elaborated heterogeneous catalysts on the basis of the Venturello complex [PO4{WO(O2)2}4]3- (PW4) and nitrogen-free or nitrogen-doped carbon nanotubes (CNTs or N-CNTs) for epoxidation of alkenes and sulfoxidation of thioethers with aqueous hydrogen peroxide. Catalysts PW4/CNTs and

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