Cas no 14077-69-1 (Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)-)
14077-69-1 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)-
CAS No:14077-69-1
MF:C9H11Cl3N2
MW:253.556039094925
CID:163746
PubChem ID:260784
Update Time:2025-04-19
Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)-
- 2,4,6-trichloro-5-(3-methylbutyl)pyrimidine
- 2,4,6-trichloro-5-(3-methyl-butyl)-pyrimidine
- AC1L63V7
- AC1Q3PQF
- AG-K-90554
- AR-1D3054
- CTK4C2341
- NCIOpen2_005971
- NSC92498
- 14077-69-1
- SCHEMBL5556067
- CHEMBL1965704
- DTXSID40293818
- NCI60_042048
- NSC-92498
-
- Inchi： 1S/C9H11Cl3N2/c1-5(2)3-4-6-7(10)13-9(12)14-8(6)11/h5H,3-4H2,1-2H3
- InChI Key： YLMRYOCDUSEBFI-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)Cl)Cl)CCC(C)C
Computed Properties
- Exact Mass: 251.99903
- Monoisotopic Mass: 251.999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.304
- Boiling Point: 289.7°Cat760mmHg
- Flash Point: 156.6°C
- Refractive Index: 1.534
- PSA: 25.78
Pyrimidine,2,4,6-trichloro-5-(3-methylbutyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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