Cas no 106047-58-9 (Benzoic acid, 4-[(3-hydroxyphenyl)thio]-3-nitro-, methyl ester)
![Benzoic acid, 4-[(3-hydroxyphenyl)thio]-3-nitro-, methyl ester structure](https://ossimg.kuujia.com/scimg/106500/106047-58-9x500.png)
106047-58-9 structure
Product Name:Benzoic acid, 4-[(3-hydroxyphenyl)thio]-3-nitro-, methyl ester
CAS No:106047-58-9
MF:C14H11NO5S
MW:305.305842638016
CID:1170155
Update Time:2024-07-25
Benzoic acid, 4-[(3-hydroxyphenyl)thio]-3-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-[(3-hydroxyphenyl)thio]-3-nitro-, methyl ester
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- Inchi： 1S/C14H11NO5S/c1-20-14(17)9-5-6-13(12(7-9)15(18)19)21-11-4-2-3-10(16)8-11/h2-8,16H,1H3
- InChI Key： ITNSIAPPOUTGHB-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C1=CC=C(SC2=CC=CC(O)=C2)C([N+]([O-])=O)=C1
Computed Properties
- Exact Mass: 305.03583
Experimental Properties
- Density: 1.46±0.1 g/cm3(Predicted)
- Boiling Point: 494.5±45.0 °C(Predicted)
- PSA: 89.67
- pka: 9.18±0.10(Predicted)
Benzoic acid, 4-[(3-hydroxyphenyl)thio]-3-nitro-, methyl ester Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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