assay
97%
mp
78-82 °C (lit.)
SMILES string
[O-][N+](=O)c1ccccc1Sc2ccccc2
InChI
1S/C12H9NO2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
InChI key
ZPWNCSAEXUDWTN-UHFFFAOYSA-N
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
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
新产品
此项目有
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