Cas no 139541-40-5 (Pyrimidine, 4-butyl-2,6-dichloro-5-nitro-)
139541-40-5 structure
Product Name:Pyrimidine, 4-butyl-2,6-dichloro-5-nitro-
CAS No:139541-40-5
MF:C8H9Cl2N3O2
MW:250.081959486008
CID:1275079
Update Time:2024-08-03
Pyrimidine, 4-butyl-2,6-dichloro-5-nitro- Chemical and Physical Properties
Names and Identifiers
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- Pyrimidine, 4-butyl-2,6-dichloro-5-nitro-
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- Inchi： 1S/C8H9Cl2N3O2/c1-2-3-4-5-6(13(14)15)7(9)12-8(10)11-5/h2-4H2,1H3
- InChI Key： NIKPZGUHRGPTKF-UHFFFAOYSA-N
- SMILES： C1(Cl)=NC(Cl)=C([N+]([O-])=O)C(CCCC)=N1
Computed Properties
- Exact Mass: 249.00737
Experimental Properties
- Density: 1.409±0.06 g/cm3(Predicted)
- Boiling Point: 349.9±37.0 °C(Predicted)
- PSA: 68.92
- pka: -5.44±0.41(Predicted)
Pyrimidine, 4-butyl-2,6-dichloro-5-nitro- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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