Cas no 111670-81-6 (Phosphonic acid, (tricyanomethyl)-, bis(2-methylpropyl) ester)
111670-81-6 structure
Product Name:Phosphonic acid, (tricyanomethyl)-, bis(2-methylpropyl) ester
CAS No:111670-81-6
MF:C12H18N3O3P
MW:283.263383388519
CID:1199240
Update Time:2024-08-02
Phosphonic acid, (tricyanomethyl)-, bis(2-methylpropyl) ester Chemical and Physical Properties
Names and Identifiers
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- Phosphonic acid, (tricyanomethyl)-, bis(2-methylpropyl) ester
- Phosphonic acid, (tricyanomethyl)-, bis(2-methylpropyl) ester (9CI)
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- Inchi： 1S/C12H18N3O3P/c1-10(2)5-17-19(16,18-6-11(3)4)12(7-13,8-14)9-15/h10-11H,5-6H2,1-4H3
- InChI Key： ZOKDYQKKUSVABI-UHFFFAOYSA-N
- SMILES： C(P(=O)(OCC(C)C)OCC(C)C)(C#N)(C#N)C#N
Computed Properties
- Exact Mass: 283.10874
Experimental Properties
- Density: 1.158±0.06 g/cm3(Predicted)
- Boiling Point: 364.0±42.0 °C(Predicted)
- PSA: 106.9
Phosphonic acid, (tricyanomethyl)-, bis(2-methylpropyl) ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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