1,3,5-Triazine,2,4-dimethyl-6-phenyl- supplier

Name
2,4-dimethyl-6-phenyl-1,3,5-triazine
EINECS
CAS No. 3599-61-9
Article Data4
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁N₃
Boiling Point 384.9 °C at 760 mmHg
Molecular Weight 185.228
Flash Point 181.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Triazine,2,4-dimethyl-6-phenyl- (7CI,8CI);2,4-Dimethyl-6-phenyl-1,3,5-triazine;2,4-Dimethyl-6-phenyl-s-triazine;
PSA 38.67000
LogP 2.15540

1,3,5-Triazine,2,4-dimethyl-6-phenyl- Specification

The 1,3,5-Triazine,2,4-dimethyl-6-phenyl-, with the CAS registry number 3599-61-9, is also known as 2,4-Dimethyl-6-phenyl-s-triazine. This chemical's molecular formula is C₁₁H₁₁N₃ and molecular weight is 185.23. What's more, its systematic name is 2,4-Dimethyl-6-phenyl-1,3,5-triazine.

Physical properties of 1,3,5-Triazine,2,4-dimethyl-6-phenyl- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.5; (6)ACD/BCF (pH 7.4): 4.51; (7)ACD/KOC (pH 5.5): 102.19; (8)ACD/KOC (pH 7.4): 102.29; (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: 1.569; (14)Molar Refractivity: 54.76 cm³; (15)Molar Volume: 166.9 cm³; (16)Polarizability: 21.71×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.109 g/cm³; (19)Flash Point: 181.1 °C; (20)Enthalpy of Vaporization: 60.88 kJ/mol; (21)Boiling Point: 384.9 °C at 760 mmHg; (22)Vapour Pressure: 8.79E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(1-Dimethylamino-ethyliden)-benzamid and acetamidine; hydrochloride at the temperature of 67 °C. This reaction will need reagent t-BuOK and solvent tetrahydrofuran with the reaction time of 16 hours. The yield is about 40%.

1,3,5-Triazine,2,4-dimethyl-6-phenyl- can be prepared by N-(1-Dimethylamino-ethyliden)-benzamid and acetamidine; hydrochloride at the temperature of 67 °C

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(nc(nc1c2ccccc2)C)C
(2)InChI: InChI=1S/C11H11N3/c1-8-12-9(2)14-11(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
(3)InChIKey: XBKFUNILASZNBC-UHFFFAOYSA-N

Product Name

2,4-dimethyl-6-phenyl-1,3,5-triazine

1,3,5-Triazine,2,4-dimethyl-6-phenyl- Specification

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