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Merck
CN

468991

2-硝基二苯硫醚

97%

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线性分子式:
O2NC6H4SC6H5
化学文摘社编号:
分子量:
231.27
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
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InChI

1S/C12H9NO2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H

SMILES string

[O-][N+](=O)c1ccccc1Sc2ccccc2

InChI key

ZPWNCSAEXUDWTN-UHFFFAOYSA-N

assay

97%

mp

78-82 °C (lit.)

General description

2-Nitrophenyl phenyl sulfide is an aromatic sulfide bearing a nitro group. It has been reported to undergo sulfur oxidation on electrospray ionization in the positive-ion mode. Accurate masses of fragment ions generated by electrospray ionization (ESI) - collisionally activated dissociation (CAD) of [M + H]+ ions of 2-nitrophenyl phenyl sulfide have been evaluated.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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分析证书(COA)

Lot/Batch Number

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Joseph T Moolayil et al.
Journal of the American Society for Mass Spectrometry, 18(12), 2204-2217 (2007-11-03)
A novel gas-phase electrophilic cyclization, initiated by the protonation of a nitro group, occurs for 2-nitrophenyl phenyl ether and for the analogous sulfide and amine, leading to heterocyclic intermediates in each case. Subsequently, the cyclic intermediates dissociate via two pathways:
Joseph T Moolayil et al.
International journal of mass spectrometry, 283(1-3), 222-228 (2010-02-18)
Aromatic sulfides bearing a nitro group undergo sulfur oxidation upon electrospray ionization in the positive-ion mode. For example, 2-nitrophenyl phenyl sulfide, its para nitro isomer, and its chloro and methyl substituted analogs pick up an oxygen atom to afford [M
Photochemical Rearrangement of 2-Nitrophenyl Phenyl Sulfoxide to 2-Nitrosophenyl Phenyl Sulfone.
Tanikaga R and Kaji A.
Bulletin of the Chemical Society of Japan, 46(12), 3814-3817 (1973)
Ellen K Parker et al.
Analytical and bioanalytical chemistry, 411(21), 5405-5413 (2018-11-02)
Preterm birth (PTB) is defined as birth before the 37th week of pregnancy and results in 15 million early deliveries worldwide every year. Presently, there is no clinical test to determine PTB risk; however, a panel of nine biomarkers found

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