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196525

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
NACRES:
NA.22
PubChem Substance ID:
24851767
UNSPSC Code:
12352100
EC Number:
203-255-8
MDL number:
MFCD00000102
Assay:
97%
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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

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

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB8510
SDBB0760
STBK3382
STBJ7427
STBJ2921

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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.
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Global Trade Item Number

SKUGTIN
196525-25G04061838762092
196525-100G04061832418810