Cas no 50590-03-9 (O-(2,5-dimethyl-4-nitrophenyl) O,O-dimethyl thiophosphate)
50590-03-9 structure
Product Name:O-(2,5-dimethyl-4-nitrophenyl) O,O-dimethyl thiophosphate
CAS No:50590-03-9
MF:C10H14NO5PS
MW:291.260622501373
CID:1572554
PubChem ID:3039448
Update Time:2025-04-21
O-(2,5-dimethyl-4-nitrophenyl) O,O-dimethyl thiophosphate Chemical and Physical Properties
Names and Identifiers
-
- O-(2,5-dimethyl-4-nitrophenyl) O,O-dimethyl thiophosphate
- (2,5-dimethyl-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ<sup>5</sup>-phosphane
- Phosphorothioic acid, O,O-dimethyl O-(2,5-dimethyl-4-nitrophenyl) ester
- O,O-Dimethyl O-(2,5-dimethyl-4-nitrophenyl) phosphorothioate
- 50590-03-9
- DTXSID50198623
-
- Inchi： 1S/C10H14NO5PS/c1-7-6-10(16-17(18,14-3)15-4)8(2)5-9(7)11(12)13/h5-6H,1-4H3
- InChI Key： MXSQIFDFHBGBOW-UHFFFAOYSA-N
- SMILES： S=P(OC)(OC)OC1C=C(C)C(=CC=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 291.03312
- Monoisotopic Mass: 291.03303
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 106
Experimental Properties
- Density: 1.329
- Boiling Point: 369.8°C at 760 mmHg
- Flash Point: 177.5°C
- Refractive Index: 1.565
- PSA: 70.83
- LogP: 4.28150
O-(2,5-dimethyl-4-nitrophenyl) O,O-dimethyl thiophosphate Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
50590-03-9 (O-(2,5-dimethyl-4-nitrophenyl) O,O-dimethyl thiophosphate) Related Products
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