Cas no 24481-42-3 (1,3,5-Triazine,2-(1-methylethyl)-4,6-bis(trichloromethyl)-)
24481-42-3 structure
Product Name:1,3,5-Triazine,2-(1-methylethyl)-4,6-bis(trichloromethyl)-
CAS No:24481-42-3
MF:C8H7Cl6N3
MW:357.879275560379
CID:265771
Update Time:2024-01-27
1,3,5-Triazine,2-(1-methylethyl)-4,6-bis(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Triazine,2-(1-methylethyl)-4,6-bis(trichloromethyl)-
- 2-ISOPROPYL-4,6-BIS(TRICHLOROMETHYL)-S-TRIAZINE
- 1,3,5-Triazine, 2-(1-methylethyl)-4,6-bis(trichloromethyl)-
-
- Inchi： 1S/C8H7Cl6N3/c1-3(2)4-15-5(7(9,10)11)17-6(16-4)8(12,13)14/h3H,1-2H3
- InChI Key： HZMJCHSMVMYFFN-UHFFFAOYSA-N
- SMILES： N1=C(C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N=C1C(C)C
Computed Properties
- Exact Mass: 354.87751
- Monoisotopic Mass: 354.877114
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- 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: 38.7
Experimental Properties
- Density: 1.613
- Boiling Point: 365.2°Cat760mmHg
- Flash Point: 206.2°C
- Refractive Index: 1.57
- PSA: 38.67
- pka: -1.32±0.10(Predicted)
1,3,5-Triazine,2-(1-methylethyl)-4,6-bis(trichloromethyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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