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重要文件

557471

Sigma-Aldrich

4-硝基茴香硫醚

96%

同義詞:

4-硝基硫代苯甲醚

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About This Item

線性公式:
O2NC6H4SCH3
CAS號碼:
分子量::
169.20
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
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化驗

96%

形狀

solid

mp

66-69 °C (lit.)
68-72 °C (lit.)

SMILES 字串

CSc1ccc(cc1)[N+]([O-])=O

InChI

1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

InChI 密鑰

NEZGPRYOJVPJKL-UHFFFAOYSA-N

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一般說明

4-Nitrothioanisole in acetone-d6 solution exhibits twofold barrier to rotation about the Csp2-S bond as 16.1±1.5kJ/mol.[1] 4-Nitrothioanisole undergoes hydrogenation in the presence of sulfided Pd/C catalysts.[2]

應用

4-Nitrothioanisole may be used to synthesize 4-nitrothioanisole sulfoxide[3] and methyl 4-nitrophenyl sulfoxide.[4]

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

Eyeshields, Gloves, type N95 (US)


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Horseradish peroxidase-catalyzed two-electron oxidations. Oxidation of iodide, thioanisoles, and phenols at distinct sites.
Harris RZ, et al.
The Journal of Biological Chemistry, 268(3), 1637-1645 (1993)
Catalytic hydrogenation of sulfur-containing nitrobenzene over Pd/C catalysts: In situ sulfidation of Pd/C for the preparation of Pd x S y catalysts.
Zhang Q, et al.
Applied Catalysis A: General, 497, 17-21 (2015)
Photoelectrochemical reduction of meta-halonitrobenzenes and related species.
Robert AW and George WJ.
J. Chem. Soc. Perkin Trans. II, 8, 1673-1677 (1995)
The proximate coupling constant, 5 J (H, CH3), and the torsional mobility of the thiomethyl group in some thioanisole derivatives.
Schaefer T, et al.
Canadian Journal of Chemistry, 69(4), 620-624 (1991)

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