468991
2-Nitrophenyl phenyl sulfide
97%
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About This Item
Linear Formula:
O2NC6H4SC6H5
CAS Number:
Molecular Weight:
231.27
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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)
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
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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