Cas no 14077-72-6 (Pyrimidine,2,4,6-trichloro-5-octyl-)
14077-72-6 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-octyl-
CAS No:14077-72-6
MF:C12H17Cl3N2
MW:295.635780096054
CID:233721
PubChem ID:260793
Update Time:2025-04-19
Pyrimidine,2,4,6-trichloro-5-octyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2,4,6-trichloro-5-octyl-
- 2,4,6-trichloro-5-octylpyrimidine
- 2,4,6-Trichlor-5-octyl-pyrimidin
- 2,4,6-trichloro-5-octyl-pyrimidine
- AC1L63VY
- AC1Q3PQK
- AR-1D3060
- CTK4C2344
- NCIOpen2_005813
- NSC92508
- NSC-92508
- 14077-72-6
- DTXSID70293826
-
- Inchi: 1S/C12H17Cl3N2/c1-2-3-4-5-6-7-8-9-10(13)16-12(15)17-11(9)14/h2-8H2,1H3
- InChI Key: NLLAUDBADWNBAE-UHFFFAOYSA-N
- SMILES: ClC1C(=C(N=C(N=1)Cl)Cl)CCCCCCCC
Computed Properties
- Exact Mass: 294.04601
- Monoisotopic Mass: 294.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 192
- 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: 7.1
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.213
- Boiling Point: 343.8°Cat760mmHg
- Flash Point: 192.4°C
- Refractive Index: 1.523
- PSA: 25.78
- LogP: 5.33980
Pyrimidine,2,4,6-trichloro-5-octyl- Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
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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