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| CAS No.: | 3638-04-8 |
|---|---|
| Name: | 2,4-Dichloro-6-methoxy-1,3,5-triazine |
| Article Data: | 58 |
| Molecular Structure: | |
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| Formula: | C4H3Cl2N3O |
| Molecular Weight: | 179.993 |
| Synonyms: | s-Triazine,2,4-dichloro-6-methoxy- (6CI,7CI,8CI);2,4-Dichloro-6-methoxy-1,3,5-triazine;2,4-Dichloro-6-methoxy-s-triazine;2-Methoxy-4,6-dichloro-1,3,5-triazine;2-Methoxy-4,6-dichloro-s-triazine;4,6-Dichloro-2-methoxy-s-triazine;6-Methoxy-2,4-dichloro-s-triazine;Dichloromethoxy-s-triazine;Methoxydichloro-s-triazine;NSC 50574;1,3,5-triazine, 2,4-dichloro-6-methoxy-;2,4 Dichloro-6-methoxy-s-triazine;2,4-Dichloro-6-methoxy-1,3,5-triazine; |
| EINECS: | 222-863-4 |
| Density: | 1.538 g/cm3 |
| Melting Point: | 86-88 °C(lit.) |
| Boiling Point: | 336.3 °C at 760 mmHg |
| Flash Point: | 157.2 °C |
| Appearance: | WHITE POWDER OR CRYSTALS |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 47.90000 |
| LogP: | 1.18700 |
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Specification
The 1,3,5-triazine, 2,4-dichloro-6-methoxy-, with the CAS registry number 3638-04-8 and EINECS registry number 222-863-4, has the systematic name of 2,4-dichloro-6-methoxy-1,3,5-triazine. It belongs to the following product categories: Halogenated Heterocycles; Heterocyclic Building Blocks; Triazines; TriazinesBuilding Blocks. And the molecular formula of this chemical is C4H3Cl2N3O.
The physical properties of 1,3,5-triazine, 2,4-dichloro-6-methoxy- are as following: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.33; (6)ACD/BCF (pH 7.4): 7.33; (7)ACD/KOC (pH 5.5): 144.89; (8)ACD/KOC (pH 7.4): 144.89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.9 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 36.99 cm3; (15)Molar Volume: 117 cm3; (16)Polarizability: 14.66×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.538 g/cm3; (19)Flash Point: 157.2 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00022 mmHg at 25°C.
Preparation of 1,3,5-triazine, 2,4-dichloro-6-methoxy-: This chemical can be prepared by 2,4,6-trichloro-[1,3,5]triazine and methanol. The reaction will need reagent sodium hydrogencarbonate.
![1,3,5-triazine, 2,4-dichloro-6-methoxy- can be prepared by 2,4,6-trichloro-[1,3,5]triazine and methanol](/UserFilesUpload/Preparation of 1,3,5-triazine, 2,4-dichloro-6-methoxy-.jpg)
Uses of 1,3,5-triazine, 2,4-dichloro-6-methoxy-: It can react with tert-butyl hydroperoxide to produce 2,4-bis-(t-butylperoxy)-6-methoxy-1,3,5-triazine. This reaction will need reagents sodium hydroxide, and the solvent hexane. The reaction time is 1 day with temperature of 20°C, and the yield is about 75%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(OC)nc(Cl)n1
(2)InChI: InChI=1/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
(3)InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYAT