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| CAS No.: | 1700-02-3 |
|---|---|
| Name: | 2,4-Dichloro-6-phenyl-1,3,5-triazine |
| Article Data: | 106 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H5Cl2N3 |
| Molecular Weight: | 226.065 |
| Synonyms: | s-Triazine,2,4-dichloro-6-phenyl- (6CI,7CI,8CI);2,4-Dichloro-6-phenyl-1,3,5-s-triazine;2,4-Dichloro-6-phenyl-1,3,5-triazine;2,4-Dichloro-6-phenyl-s-triazine;2-Phenyl-4,6-dichlorotriazine;6-Phenyl-2,4-dichloro-s-triazine;NSC 51871; |
| EINECS: | 216-928-6 |
| Density: | 1.428 g/cm3 |
| Melting Point: | gt. 119.0 to 123.0 °C |
| Boiling Point: | 427.5 °C at 760 mmHg |
| Flash Point: | 244.9 °C |
| Appearance: | White powder |
| PSA: | 38.67000 |
| LogP: | 2.84540 |
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Specification
The 2,4-Dichloro-6-phenyl-1,3,5-triazine, with the CAS registry number 1700-02-3 and EINECS registry number 216-928-6, is also called 2,4-Dichloro-6-phenyl-1,3,5-triazine. And the molecular formula of the chemical is C9H5Cl2N3.
The characteristics of 2,4-Dichloro-6-phenyl-1,3,5-triazine are as followings: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 153.46; (6)ACD/BCF (pH 7.4): 153.46; (7)ACD/KOC (pH 5.5): 1277.44; (8)ACD/KOC (pH 7.4): 1277.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 54.9 cm3; (15)Molar Volume: 158.2 cm3; (16)Polarizability: 21.76×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 244.9 °C; (20)Enthalpy of Vaporization: 65.61 kJ/mol; (21)Boiling Point: 427.5 °C at 760 mmHg; (22)Vapour Pressure: 4.06E-07 mmHg at 25°C.
Preparation of 2,4-Dichloro-6-phenyl-1,3,5-triazine: This chemical can be prepared by 2,4,6-trichloro-[1,3,5]triazine and phenylmagnesium bromide. The reaction will need reagent diethyl ether, tetrahydrofuran and benzene. The reaction time is 3 hours with temperature of 25°C.
Uses of 2,4-Dichloro-6-phenyl-1,3,5-triazine: It can react with 2-chloro-4-(3R,5S-dimethyl-piperazine-1-yl)-6-(1-methoxy-ethyl)-[1,3,5]triazine to produce 2-chloro-4-[2-(4-chloro-6-phenyl-[1,3,5]triazine-2-yl)-3R,5S-dimethyl-piperazine-1-yl]-6-(1-methoxy-ethyl)-[1,3,5]triazine. This reaction will need reagent NaHCO3, and the menstruum dimethylformamide. The reaction temperature is 20°C, and the yield is about 48%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(nc(Cl)n1)c2ccccc2
(2)InChI: InChI=1/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H
(3)InChIKey: AMEVJOWOWQPPJQ-UHFFFAOYAE
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