CAS No.797-70-6,TRIS(4-METHYLPHENYL)PHOSPHINE OXIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	797-70-6
Name:	TRIS(4-METHYLPHENYL)PHOSPHINE OXIDE
Article Data:	42

Formula:	C₂₁H₂₁OP
Molecular Weight:	320.371
Synonyms:	Phosphineoxide, tri-p-tolyl- (6CI,7CI,8CI);Tri(p-methylphenyl)phosphine monoxide;Tri-p-tolylphosphine oxide;Tris(4-methylphenyl)phosphine oxide;Tris(4-tolyl)phosphine oxide;Tris-p-tolylphosphine oxide;1-Bis(4-methylphenyl)phosphoryl-4-methylbenzene;
Density:	1.12 g/cm³
Melting Point:	145 °C
Boiling Point:	490 °C at 760 mmHg
Flash Point:	250.2 °C
PSA:	26.88000
LogP:	4.25120

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Specification

The Phosphine oxide,tris(4-methylphenyl)-, with the CAS registry number 797-70-6, is also known as Tris(4-tolyl)phosphine oxide. This chemical's molecular formula is C₂₁H₂₁OP and molecular weight is 320.36. What's more, its systematic name is Tris(4-methylphenyl)phosphane oxide.

Physical properties of Phosphine oxide,tris(4-methylphenyl)- are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1000.4; (6)ACD/BCF (pH 7.4): 1000.4; (7)ACD/KOC (pH 5.5): 4887.92; (8)ACD/KOC (pH 7.4): 4887.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.88 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 96.78 cm³; (15)Molar Volume: 283.5 cm³; (16)Polarizability: 38.36×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 250.2 °C; (20)Enthalpy of Vaporization: 72.77 kJ/mol; (21)Boiling Point: 490 °C at 760 mmHg; (22)Vapour Pressure: 2.84E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by tri-p-tolyl-phosphine sulfide at the ambient temperature. This reaction will need reagent perfluoro-cis-2-n-butyl-3-n-propyloxaziridine and various solvents with the reaction time of 5 min. The yield is about 97%.

Phosphine oxide,tris(4-methylphenyl)- can be prepared by tri-p-tolyl-phosphine sulfide at the ambient temperature

Uses of Phosphine oxide,tris(4-methylphenyl)-: it can be used to produce diphenyl-p-tolyl-phosphine oxide at the temperature of -78 °C. It will need solvent tetrahydrofuran with the reaction time of 15 min. The yield is about 29%.

Phosphine oxide,tris(4-methylphenyl)- can be used to produce diphenyl-p-tolyl-phosphine oxide at the temperature of -78 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
(2)InChI: InChI=1S/C21H21OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
(3)InChIKey: SPKBYIYIZQARNX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02262.