Cas no 1262205-84-4 (4-tert-butyl-5-bromo-2,6-dichloropyrimidine)
1262205-84-4 structure
Product Name:4-tert-butyl-5-bromo-2,6-dichloropyrimidine
CAS No:1262205-84-4
MF:C8H9BrCl2N2
MW:283.980458974838
CID:2135478
Update Time:2023-11-19
4-tert-butyl-5-bromo-2,6-dichloropyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-tert-butyl-5-bromo-2,6-dichloropyrimidine
- CID 117260479
- Pyrimidine, 5-bromo-2,4-dichloro-6-(1,1-dimethylethyl)-
-
- Inchi： 1S/C8H9BrCl2N2/c1-8(2,3)5-4(9)6(10)13-7(11)12-5/h1-3H3
- InChI Key： FIKATEFWRHTRBN-UHFFFAOYSA-N
- SMILES： BrC1=C(N=C(N=C1C(C)(C)C)Cl)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 184
- Topological Polar Surface Area: 25.8
Experimental Properties
- Density: 1.554±0.06 g/cm3(Predicted)
- Boiling Point: 306.0±37.0 °C(Predicted)
- pka: -3.76±0.39(Predicted)
4-tert-butyl-5-bromo-2,6-dichloropyrimidine Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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