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CAS No.: | 23897-15-6 |
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Name: | TRIMESITYLPHOSPHINE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C27H33P |
Molecular Weight: | 388.533 |
Synonyms: | Phosphine,trimesityl- (8CI);Trimesitylphosphine;Tris(2,4,6-trimethylphenyl)phosphine; |
Melting Point: | 185-188 °C(lit.) |
Boiling Point: | 491.1 °C at 760 mmHg |
Flash Point: | 266.2 °C |
Solubility: | Insoluble in water. |
Appearance: | white to light yellow crystal powder |
Safety: | 24/25 |
PSA: | 13.59000 |
LogP: | 6.22040 |
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The Phosphine,tris(2,4,6-trimethylphenyl)-, with the CAS registry number 23897-15-6, belongs to the product category of Ligand. This chemical's molecular formula is C27H33P and molecular weight is 388.5247. Its systematic name is called tris(2,4,6-trimethylphenyl)phosphane. This chemical is white to light yellow crystal powder. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.
Physical properties of Phosphine,tris(2,4,6-trimethylphenyl)-: (1)ACD/LogP: 9.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.83; (4)ACD/LogD (pH 7.4): 9.83; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5307584.5; (8)ACD/KOC (pH 7.4): 5307584.5; (9)#Freely Rotating Bonds: 3; (10)Flash Point: 266.2 °C; (11)Enthalpy of Vaporization: 72.89 kJ/mol; (12)Boiling Point: 491.1 °C at 760 mmHg; (13)Vapour Pressure: 2.6E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by (2,4,6-trimethyl-phenyl)-magnesium bromide. This reaction will need reagent PCl3 and solvent tetrahydrofuran. The reaction temperature is -78 °C. The yield is about 96%.
Uses of Phosphine,tris(2,4,6-trimethylphenyl)-: it can be used to produce Trimesitylphosphinsulfid by heating. This reaction will need reagent sulfur and solvent toluene with reaction time of 124 hours. The yield is about 89.1%.
You can still convert the following datas into molecular structure:
(1)SMILES: c3(c(P(c1c(cc(cc1C)C)C)c2c(cc(cc2C)C)C)c(cc(c3)C)C)C
(2)InChI: InChI=1/C27H33P/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
(3)InChIKey: IDXDWPWXHTXJMZ-UHFFFAOYAZ