Cas no 14095-65-9 (Pyrimidine,2,4,6-trichloro-5-(1-methylbutyl)-)
14095-65-9 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-(1-methylbutyl)-
CAS No:14095-65-9
MF:C9H11Cl3N2
MW:253.556039094925
CID:222853
PubChem ID:260785
Update Time:2025-04-19
Pyrimidine,2,4,6-trichloro-5-(1-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2,4,6-trichloro-5-(1-methylbutyl)-
- NSC92499
- NCIOpen2_006011
- DTXSID00293819
- CHEMBL1995751
- NSC-92499
- 14095-65-9
- 2,4,6-trichloro-5-(pentan-2-yl)pyrimidine
- NCI60_042049
-
- Inchi： 1S/C9H11Cl3N2/c1-3-4-5(2)6-7(10)13-9(12)14-8(6)11/h5H,3-4H2,1-2H3
- InChI Key： TWQMDUZDMLZWNR-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)Cl)Cl)C(C)CCC
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: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.301
- Boiling Point: 279.8°C at 760 mmHg
- Flash Point: 149.8°C
- Refractive Index: 1.534
- PSA: 25.78
Pyrimidine,2,4,6-trichloro-5-(1-methylbutyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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