Cas no 26675-93-4 (2,4(1H,3H)-Pyrimidinedione, 3-(1-methylethyl)-6-(trifluoromethyl)-)
26675-93-4 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 3-(1-methylethyl)-6-(trifluoromethyl)-
CAS No:26675-93-4
MF:C8H9F3N2O2
MW:222.164472341537
CID:1428258
Update Time:2024-08-15
2,4(1H,3H)-Pyrimidinedione, 3-(1-methylethyl)-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 2,4(1H,3H)-Pyrimidinedione, 3-(1-methylethyl)-6-(trifluoromethyl)-
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- Inchi： 1S/C8H9F3N2O2/c1-4(2)13-6(14)3-5(8(9,10)11)12-7(13)15/h3-4H,1-2H3,(H,12,15)
- InChI Key： WVEHVYMBQZFKMJ-UHFFFAOYSA-N
- SMILES： C1(=O)NC(C(F)(F)F)=CC(=O)N1C(C)C
Computed Properties
- Exact Mass: 222.06167
Experimental Properties
- Density: 1.362±0.06 g/cm3(Predicted)
- PSA: 49.41
- pka: 7.44±0.40(Predicted)
2,4(1H,3H)-Pyrimidinedione, 3-(1-methylethyl)-6-(trifluoromethyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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