Cas no 30362-31-3 (1,3,5-Triazine,2-(dichloromethyl)-4,6-bis(trichloromethyl)-)
30362-31-3 structure
Product Name:1,3,5-Triazine,2-(dichloromethyl)-4,6-bis(trichloromethyl)-
CAS No:30362-31-3
MF:C6HCl8N3
MW:398.71623301506
CID:311031
Update Time:2024-01-28
1,3,5-Triazine,2-(dichloromethyl)-4,6-bis(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine,2-(dichloromethyl)-4,6-bis(trichloromethyl)-
- 2-(Dichloromethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
- s-Triazine, 2-(dichloromethyl)-4,6-bis(trichloromethyl)-
- 1,3,5-Triazine, 2-(dichloromethyl)-4,6-bis(trichloromethyl)-
-
- Inchi： 1S/C6HCl8N3/c7-1(8)2-15-3(5(9,10)11)17-4(16-2)6(12,13)14/h1H
- InChI Key： DZQMLHHFOGXQQS-UHFFFAOYSA-N
- SMILES： N1=C(C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N=C1C(Cl)Cl
Computed Properties
- Exact Mass: 394.76833
- Monoisotopic Mass: 394.768
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 239
- 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: 1.884
- Melting Point: 40-41 °C(Solv: hexane (110-54-3))
- Boiling Point: 381.2°Cat760mmHg
- Flash Point: 216.3°C
- Refractive Index: 1.608
- PSA: 38.67
- pka: -3.65±0.10(Predicted)
1,3,5-Triazine,2-(dichloromethyl)-4,6-bis(trichloromethyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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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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