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Safety Information

456802

Sigma-Aldrich

4-(Methylthio)phenylboronic acid

≥95%

Synonym(s):

4-(Methylsulfanyl)benzeneboronic acid, 4-(Methylsulfanyl)phenylboronic acid, 4-(Methylthio)benzeneboronic acid

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About This Item

Linear Formula:
CH3SC6H4B(OH)2
CAS Number:
98546-51-1
Molecular Weight:
168.02
Beilstein:
3247219
MDL number:
MFCD00093410
UNSPSC Code:
12352103
PubChem Substance ID:
24869239
NACRES:
NA.22

Quality Level

100

Assay

≥95%

form

powder

impurities

<15% anhydride

mp

210-214 °C (lit.)

functional group

thioether

SMILES string

CSc1ccc(cc1)B(O)O

InChI

1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3

InChI key

IVUHTLFKBDDICS-UHFFFAOYSA-N

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Application

Reactant involved in:
  • Suzuki-Miyaura cross coupling reactions with 2-aryl-1-bromo-1-nitroethenes or alkynyl bromides
  • Addition reactions with naphthyridine N-oxides
  • Oxyarylation of Heck reaction intermediates for synthesis of THF derivatives
  • Sulfoxidation reactions
  • Copper-catalyzed halogenation

Other Notes

Contains varying amounts of anhydride

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

456802-5G:
456802-25G:
456802-BULK:
456802-1G:
456802-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
23615PA
05812KQ
00809HU
25917CB
16906PO

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