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T28002

Sigma-Aldrich

Thioanisole

ReagentPlus®, ≥99%

Sinônimo(s):

Methyl phenyl sulfide

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About This Item

Fórmula linear:
C6H5SCH3
Número CAS:
100-68-5
Peso molecular:
124.20
Beilstein:
1904179
Número CE:
202-878-2
Número MDL:
MFCD00008559
Código UNSPSC:
12352100
ID de substância PubChem:
57654663
NACRES:
NA.21

Nível de qualidade

200

linha de produto

ReagentPlus®

Ensaio

≥99%

índice de refração

n20/D 1.587 (lit.)

pb

188 °C (lit.)

pf

−15 °C (lit.)

densidade

1.057 g/mL at 20 °C (lit.)

cadeia de caracteres SMILES

CSc1ccccc1

InChI

1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

chave InChI

HNKJADCVZUBCPG-UHFFFAOYSA-N

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Categorias relacionadas

Aplicação

Thioanisole may be used in the synthesis of methyl phenyl sulfoxide via oxidation.

Informações legais

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictogramas

Exclamation markEnvironment
GHS07,GHS09

Palavra indicadora

Warning

Frases de perigo

H315,H317,H319,H411

Classificações de perigo

Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B

Código de classe de armazenamento

10 - Combustible liquids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

163.4 °F - closed cup

Ponto de fulgor (°C)

73 °C - closed cup

Equipamento de proteção individual

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificados de análise (COA)

Lot/Batch Number
SDBB1431
STBL3952
STBH5431
STBG8672
STBJ6225

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Mild and selective oxidation of sulfur compounds in trifluoroethanol: diphenyl disulfide and methyl phenyl sulfoxide.
Ravikumar KS, et al.
Organic Syntheses, 184-189 (2003)
Methyl phenyl sulfoxide.
Johnson CR & Keiser JE.
Organic Syntheses, 78-78 (1966)
Chun Zhu et al.
Physical chemistry chemical physics : PCCP, 14(37), 12800-12806 (2012-08-10)
The electronic and structural features of (oxo)manganese(V) corroles and their catalyzed oxygen atom transfers to thioanisole in different spin states have been investigated by the B3LYP functional calculations. Calculations show that these corrole-based oxidants and their complexes with thioanisole generally
Rémy Ricoux et al.
Organic & biomolecular chemistry, 7(16), 3208-3211 (2009-07-31)
Two new artificial hemoproteins or "hemozymes", obtained by non covalent insertion of Fe(III)-meso-tetra-p-carboxy- and -p-sulfonato-phenylporphyrin into xylanase A from Streptomyces lividans, were characterized by UV-visible spectroscopy and molecular modeling studies, and were found to catalyze the chemo- and stereoselective oxidation
Jiyun Park et al.
Journal of the American Chemical Society, 133(14), 5236-5239 (2011-03-18)
The mechanism of sulfoxidation of thioaniosoles by a non-heme iron(IV)-oxo complex is switched from direct oxygen transfer to metal ion-coupled electron transfer by the presence of Sc(3+). The switch in the sulfoxidation mechanism is dependent on the one-electron oxidation potentials
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