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Tris(2-methoxyphenyl)phosphine

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Name

Tris(2-methoxyphenyl)phosphine

EINECS 225-235-8
CAS No. 4731-65-1 Density N/A
PSA 41.28000 LogP 3.47060
Solubility insoluble in water Melting Point 204-208 °C
Formula C21H21O3P Boiling Point 477.3 °C at 760 mmHg
Molecular Weight 352.37 Flash Point 302.5 °C
Transport Information N/A Appearance white powder or crystals
Safety 37/39-26 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 4731-65-1 (TRIS(2-METHOXYPHENYL)PHOSPHINE) Hazard Symbols HarmfulXn
Synonyms

Phosphine,tris(o-methoxyphenyl)- (7CI,8CI);NSC 93545;Tri(2-methoxyphenyl)phosphine;Tri(o-methoxyphenyl)phosphine;Tri-o-anisylphosphine;Tris(2-methoxyphenyl)phosphine;Tris(o-methoxyphenyl)phosphine;Tris(o-anisyl)phosphine;

Article Data 18

Tris(2-methoxyphenyl)phosphine Specification

The IUPAC name of Tris(2-methoxyphenyl)phosphine is tris(2-methoxyphenyl)phosphane. With the CAS registry number 4731-65-1, it is also named as Phosphine, tris(2-methoxyphenyl)-. The product's category is Ligand. Besides, it is white powder or crystals, which should be sealed in a dark, ventilated and dry place. In addition, its molecular formula is C21H21O3P and molecular weight is 352.36.

The other characteristics of this product can be summarized as: (1)EINECS: 225-235-8; (2)ACD/LogP: 5.44; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.44; (5)ACD/LogD (pH 7.4): 5.44; (6)ACD/BCF (pH 5.5): 7969.69; (7)ACD/BCF (pH 7.4): 7969.69; (8)ACD/KOC (pH 5.5): 21589.49; (9)ACD/KOC (pH 7.4): 21589.49; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 41.28 Å2; (14)Flash Point: 302.5 °C; (15)Melting Point: 204-208 °C; (16)Enthalpy of Vaporization: 71.29 kJ/mol; (17)Boiling Point: 477.3 °C at 760 mmHg; (18)Vapour Pressure: 8.19E-09 mmHg at 25 °C.

Uses of Tris(2-methoxyphenyl)phosphine: it can be used to produce Bis-(o-methoxyphenyl)-phosphin.



This reaction needs Na, liquid ammonia and tetrahydrofuran at temperature of -40 °C for 2 hours. The yield is 100 %.

When you are using Tris(2-methoxyphenyl)phosphine, please be cautious about it as the following: it is harmful if swallowed. It also irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC
(2)InChI: InChI=1S/C21H21O3P/c1-22-16-10-4-7-13-19(16)25(20-14-8-5-11-17(20)23-2)21-15-9-6-12-18(21)24-3/h4-15H,1-3H3
(3)InChIKey: IIOSDXGZLBPOHD-UHFFFAOYSA-N

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