Cas no 14077-73-7 (Pyrimidine,2,4,6-trichloro-5-nonyl-)
14077-73-7 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-nonyl-
CAS No:14077-73-7
MF:C13H19Cl3N2
MW:309.662360429764
CID:202798
PubChem ID:260795
Update Time:2025-04-19
Pyrimidine,2,4,6-trichloro-5-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2,4,6-trichloro-5-nonyl-
- 2,4,6-trichloro-5-nonylpyrimidine
- 2,4,6-trichloro-5-nonyl-pyrimidine
- AC1L63W4
- AC1Q3PQL
- AR-1D3059
- CCG-35307
- CTK4C2345
- NCIMech_000294
- NCIOpen2_009960
- NSC92510
- NCI60_042052
- NSC-92510
- CHEMBL1968654
- 14077-73-7
- PD011908
- DTXSID90293828
-
- Inchi： 1S/C13H19Cl3N2/c1-2-3-4-5-6-7-8-9-10-11(14)17-13(16)18-12(10)15/h2-9H2,1H3
- InChI Key： KVTJZGNCSHIZHR-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)Cl)Cl)CCCCCCCCC
Computed Properties
- Exact Mass: 308.06167
- Monoisotopic Mass: 308.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 204
- 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: 7.7
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.19
- Boiling Point: 359.1°Cat760mmHg
- Flash Point: 202.3°C
- Refractive Index: 1.52
- PSA: 25.78
Pyrimidine,2,4,6-trichloro-5-nonyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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