Cas no 15640-05-8 (1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)-)
15640-05-8 structure
Product Name:1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)-
CAS No:15640-05-8
MF:C6H6Cl3N3
MW:226.490937709808
CID:229147
Update Time:2024-01-26
1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)-
- 2,4-DIMETHYL-6-TRICHLOROMETHYL-S-TRIAZINE
- 1,3,5-Triazine, 2,4-dimethyl-6-(trichloromethyl)-
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- Inchi: 1S/C6H6Cl3N3/c1-3-10-4(2)12-5(11-3)6(7,8)9/h1-2H3
- InChI Key: HOZNAODMOJEDCI-UHFFFAOYSA-N
- SMILES: N1=C(C(Cl)(Cl)Cl)N=C(C)N=C1C
Computed Properties
- Exact Mass: 224.96298
- Monoisotopic Mass: 224.963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 149
- 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
- Topological Polar Surface Area: 38.7A^2
Experimental Properties
- Density: 1.48
- Boiling Point: 312.2°C at 760 mmHg
- Flash Point: 171.7°C
- Refractive Index: 1.556
- PSA: 38.67
- pka: 1.52±0.10(Predicted)
1,3,5-Triazine,2,4-dimethyl-6-(trichloromethyl)- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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