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Phosphine,(1-methylethyl)diphenyl-

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Name

Phosphine,(1-methylethyl)diphenyl-

EINECS 228-902-1
CAS No. 6372-40-3 Density 0.861
PSA 13.59000 LogP 3.52770
Solubility N/A Melting Point 40-43 °C(lit.)
Formula C15H17P Boiling Point 309.2 °C at 760 mmHg
Molecular Weight 228.274 Flash Point 147 °C
Transport Information N/A Appearance White crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6372-40-3 (ISOPROPYLDIPHENYLPHOSPHINE) Hazard Symbols IrritantXi
Synonyms

NSC 244305;Isopropyldiphenylphosphine;Diphenylisopropylphosphine;Phosphine,isopropyldiphenyl- (6CI,7CI,8CI);Diphenyl(propan-2-yl)phosphane;

Article Data 19

Phosphine,(1-methylethyl)diphenyl- Specification

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%.

Phosphine,(1-methylethyl)diphenyl- can be prepared by isopropyl-diphenyl-phosphine oxide by heating

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%.

Phosphine,(1-methylethyl)diphenyl- can be used to produce cyclohexa-2,5-dienyl-isopropyl-phenyl-phosphane at the temperature of -78 °C

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

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