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Tris(pyrrolidinophosphine) oxide

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Name

Tris(pyrrolidinophosphine) oxide

EINECS 229-118-2
CAS No. 6415-07-2 Density 1.19 g/cm3
PSA 36.60000 LogP 2.19560
Solubility N/A Melting Point N/A
Formula C12H24N3OP Boiling Point 389.9 °C at 760 mmHg
Molecular Weight 257.316 Flash Point 189.6 °C
Transport Information N/A Appearance N/A
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 6415-07-2 (Tris(pyrrolidinophosphine) oxide) Hazard Symbols N/A
Synonyms

Phosphineoxide, tri-1-pyrrolidinyl- (7CI,8CI);NSC 270579;Phosphoric acidtripyrrolidide;Tripyrrolidinephosphoramide;Tripyrrolidinophosphine oxide;

Article Data 7

Tris(pyrrolidinophosphine) oxide Specification

The IUPAC name of Tris(pyrrolidinophosphine) oxide is 1-dipyrrolidin-1-ylphosphorylpyrrolidine. With the CAS registry number 6415-07-2, it is also named as 1,1',1''-Phosphinylidynetrispyrrolidine. The product's EINECS is 229-118-2. Moreover, its molecular formula is C12H24N3OP and molecular weight is 257.31. In addition, when you are using this chemical, please do not breathe vapour and avoid contact with skin and eyes. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 19.97; (7)ACD/KOC (pH 5.5): 17.07; (8)ACD/KOC (pH 7.4): 274.32; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 36.6 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 69.86 cm3; (15)Molar Volume: 215.9 cm3; (16)Polarizability: 27.69×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 189.6 °C; (20)Enthalpy of Vaporization: 63.93 kJ/mol; (21)Boiling Point: 389.9 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-06 mmHg at 25 °C.

Preparation of Tris(pyrrolidinophosphine) oxide: this chemical can be prepared by Phosphorous acid tris-diethylamide and Pyrrolidine.



This reaction will occur at temperature of 70 °C. The reaction time is 10 hours. The yield is 88 %.

Uses of Tris(pyrrolidinophosphine) oxide: it can get C12H24FN3P(1+)*ClO3(1-).



This reaction needs perchloryl fluoride and hexane at temperature of 0-5 °C. The reaction time is 1 hour. The yield is 82 %.

People can use the following data to convert to the molecule structure.
SMILES:O=P(N1CCCC1)(N2CCCC2)N3CCCC3
InChI:InChI=1/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2
InChIKey:GQOGEHIVQIMJMO-UHFFFAOYAE
Std. InChI:InChI=1S/C12H24N3OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h1-12H2
Std. InChIKey:GQOGEHIVQIMJMO-UHFFFAOYSA-N

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