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CAS No.: | 6372-40-3 |
---|---|
Name: | ISOPROPYLDIPHENYLPHOSPHINE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C15H17P |
Molecular Weight: | 228.274 |
Synonyms: | NSC 244305;Isopropyldiphenylphosphine;Diphenylisopropylphosphine;Phosphine,isopropyldiphenyl- (6CI,7CI,8CI);Diphenyl(propan-2-yl)phosphane; |
EINECS: | 228-902-1 |
Density: | 0.861 |
Melting Point: | 40-43 °C(lit.) |
Boiling Point: | 309.2 °C at 760 mmHg |
Flash Point: | 147 °C |
Appearance: | White crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 13.59000 |
LogP: | 3.52770 |
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The Phosphine,(1-methylethyl)diphenyl-, with the CAS registry number 6372-40-3, is also known as Isopropyldiphenylphosphine. This chemical's molecular formula is C15H17P and molecular weight is 228.27. What's more, its systematic name is Diphenyl(propan-2-yl)phosphane and its EINECS number is 228-902-1. Besides, it belongs to the product categories of Mitsunobu Reaction; Phosphine Ligands; Phosphines (Mitsunobu Reaction); Synthetic Organic Chemistry; Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds. The product is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. It should be protected from light.
Physical properties of Phosphine,(1-methylethyl)diphenyl- are: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 5281.38; (6)ACD/BCF (pH 7.4): 5281.38; (7)ACD/KOC (pH 5.5): 16081.82; (8)ACD/KOC (pH 7.4): 16081.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å2; (13)Flash Point: 147 °C; (14)Enthalpy of Vaporization: 52.8 kJ/mol; (15)Boiling Point: 309.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00118 mmHg at 25°C; (17)Rotatable Bond Count: 3; (18)Heavy Atom Count: 16; (19)Complexity: 170; (20)Covalently-Bonded Unit Count: 1.
Preparation: this chemical can be prepared by isopropyl-diphenyl-phosphine oxide by heating. This reaction will need reagent AlH3•THF and solvent tetrahydrofuran with the reaction time of 30 min. The yield is about 98%.
Uses of Phosphine,(1-methylethyl)diphenyl-: it can be used to produce cyclohexa-2,5-dienyl-isopropyl-phenyl-phosphane at the temperature of -78 °C. It will need reagents sodium and NH3 with the reaction time of 4 hours. The yield is about 73%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)P(C1=CC=CC=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C15H17P/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,1-2H3
(3)InChIKey: LLZAIAIZAVMQIG-UHFFFAOYSA-N