Cas no 2272-24-4 (1,3,5-Triazin-2-amine,4,6-dichloro-N-(4-methylphenyl)-)
2272-24-4 structure
Product Name:1,3,5-Triazin-2-amine,4,6-dichloro-N-(4-methylphenyl)-
CAS No:2272-24-4
MF:C10H8Cl2N4
MW:255.103319168091
CID:256915
Update Time:2024-01-27
1,3,5-Triazin-2-amine,4,6-dichloro-N-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Triazin-2-amine,4,6-dichloro-N-(4-methylphenyl)-
- 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(4-methylphenyl)-
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- Inchi: 1S/C10H8Cl2N4/c1-6-2-4-7(5-3-6)13-10-15-8(11)14-9(12)16-10/h2-5H,1H3,(H,13,14,15,16)
- InChI Key: TYGVZWLFENCCCW-UHFFFAOYSA-N
- SMILES: N1=C(Cl)N=C(Cl)N=C1NC1=CC=C(C)C=C1
Computed Properties
- Exact Mass: 254.01284
- Monoisotopic Mass: 254.012602
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 211
- 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: 50.7
Experimental Properties
- Density: 1.455
- Melting Point: 162-162.5 °C
- Boiling Point: 448°C at 760 mmHg
- Flash Point: 224.7°C
- Refractive Index: 1.657
- PSA: 50.7
- pka: 1.00±0.50(Predicted)
1,3,5-Triazin-2-amine,4,6-dichloro-N-(4-methylphenyl)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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