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6601-22-5

Basic Information
CAS No.: 6601-22-5
Name: 2,4-DICHLORO-6-MORPHOLINO-1,3,5-TRIAZINE
Article Data: 7
Molecular Structure:
Molecular Structure of 6601-22-5 (2,4-DICHLORO-6-MORPHOLINO-1,3,5-TRIAZINE)
Formula: C7H8Cl2N4O
Molecular Weight: 235.073
Synonyms: s-Triazine,2,4-dichloro-6-morpholino- (6CI,7CI,8CI);2,4-Dichloro-6-(morpholin-4-yl)-1,3,5-triazine;2,4-Dichloro-6-morpholino-1,3,5-triazine;2,4-Dichloro-6-morpholino-s-triazine;2,4-Dichloro-6-morpholinyl-1,3,5-triazinamine;2,6-Dichloro-4-morpholino-1,3,5-triazine;2-(N-Morpholino)-4,6-dichloro-s-triazine;2-Morpholino-4,6-dichloro-s-triazine;2-Morpholino-4,6-dichlorotriazine;4,6-Dichloro-2-morpholino-1,3,5-triazine;
EINECS: 229-544-9
Density: 1.503 g/cm3
Melting Point: 137 °C
Boiling Point: 441.9 °C at 760 mmHg
Flash Point: 221.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 22-37/38-41
Safety: 26-39
PSA: 51.14000
LogP: 1.08000
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Specification

The 2,4-Dichloro-6-morpholino-1,3,5-triazine is an organic compound with the formula C7H8Cl2N4O. The IUPAC name of this chemical is 4-(4,6-dichloro-1,3,5-triazin-2-yl)morpholine. With the CAS registry number 6601-22-5, it is also named as morpholine, 4-(4,6-dichloro-1,3,5-triazin-2-yl)-. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.56; (5)ACD/BCF (pH 5.5): 1.58; (6)ACD/BCF (pH 7.4): 1.58; (7)ACD/KOC (pH 5.5): 48.32; (8)ACD/KOC (pH 7.4): 48.32; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 52.12 cm3; (14)Molar Volume: 156.3 cm3; (15)Polarizability: 20.66×10-24 cm3; (16)Surface Tension: 63.9 dyne/cm; (17)Enthalpy of Vaporization: 69.93 kJ/mol; (18)Vapour Pressure: 5.23E-08 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 234.007516; (21)MonoIsotopic Mass: 234.007516; (22)Topological Polar Surface Area: 51.1; (23)Heavy Atom Count: 14; (24)Complexity: 181.

Preparation of 2,4-Dichloro-6-morpholino-1,3,5-triazine: It can be obtained by morpholine and 2,4,6-trichloro-[1,3,5]triazine. This reaction needs solvent ethyl acetate and tetrahydrofuran at temperature of -2 °C. The reaction time is 15 min. 

Uses of 2,4-Dichloro-6-morpholino-1,3,5-triazine: It can react with quinolin-8-ol to get 2-morpholino-4-(8'-oxyquinolino)-6-chloro-s-triazine. This reaction needs solvent acetone at temperature of 45 °C. The reaction time is 2 hours. The yield is 60%.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1nc(nc(Cl)n1)N2CCOCC2
2. InChI:InChI=1/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2 
3. InChIKey:UQAMDAUJTXFNAD-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C7H8Cl2N4O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2
5. Std. InChIKey:UQAMDAUJTXFNAD-UHFFFAOYSA-N