Cas no 59504-37-9 (Benzonitrile, 4-(4-morpholinyl)-3-nitro-)
59504-37-9 structure
Product Name:Benzonitrile, 4-(4-morpholinyl)-3-nitro-
CAS No:59504-37-9
MF:C11H11N3O3
MW:233.223342180252
CID:1615133
Update Time:2024-09-12
Benzonitrile, 4-(4-morpholinyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 4-(4-morpholinyl)-3-nitro-
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- Inchi： 1S/C11H11N3O3/c12-8-9-1-2-10(11(7-9)14(15)16)13-3-5-17-6-4-13/h1-2,7H,3-6H2
- InChI Key： QXNHTFMTMLNJPO-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC=C(N2CCOCC2)C([N+]([O-])=O)=C1
Computed Properties
- Exact Mass: 233.08013
Experimental Properties
- Density: 1.36±0.1 g/cm3(Predicted)
- Boiling Point: 424.3±45.0 °C(Predicted)
- PSA: 79.4
- pka: -0.75±0.40(Predicted)
Benzonitrile, 4-(4-morpholinyl)-3-nitro- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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