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CAS No.: | 4023-53-4 |
---|---|
Name: | TRIS(2-CYANOETHYL)PHOSPHINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H12N3P |
Molecular Weight: | 193.188 |
Synonyms: | Propionitrile,3,3',3'-phosphinidynetri- (7CI);Propionitrile, 3,3',3''-phosphinidynetri-(6CI,8CI);NSC 41940;Phosphine, tris(2-cyanoethyl)-;Tris(2-cyanoethyl)phosphine;Tris(b-cyanoethyl)phosphine; |
EINECS: | 223-687-0 |
Melting Point: | 97-98°C |
Boiling Point: | 426.9 °C at 760 mmHg |
Flash Point: | 212 °C |
Solubility: | Soluble in DMSO and H2O |
Appearance: | white crystalline |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 36/37/39-45-36-26 |
Transport Information: | UN 3464 |
PSA: | 84.96000 |
LogP: | 2.20934 |
acrylonitrile
A
bis(2-cyanoethyl)phosphine
B
tris(2-cyanoethyl)phosphine
C
tris(2-cyanoethyl)phosphine oxide
Conditions | Yield |
---|---|
With potassium hydroxide; phosphan In water; acetonitrile for 1h; Ambient temperature; | A 15 % Spectr. B 45% C 15 % Spectr. |
With phosphorus; potassium hydroxide In water; acetonitrile at 20 - 70℃; for 0.166667h; Irradiation; sonication; | A 10 % Spectr. B 30 % Spectr. C 60 % Spectr. |
Conditions | Yield |
---|---|
With potassium hydroxide; phosphan; acetonitrile | |
With phosphan |
acrylonitrile
A
bis(2-cyanoethyl)phosphine
B
tris(2-cyanoethyl)phosphine
C
3-phosphanyl-propionitrile
Conditions | Yield |
---|---|
With {(tris(cyanomethyl)phosphine)3platinum}; phosphan In acetonitrile at 20℃; for 1h; Product distribution; Mechanism; | |
With aluminum oxide; potassium hydroxide; phosphan Product distribution; influence of varying degrees of dryness of solid support; | |
With phosphan; In acetonitrile |
Conditions | Yield |
---|---|
In acetonitrile |
acrylonitrile
acetonitrile
A
bis(2-cyanoethyl)phosphine
B
tris(2-cyanoethyl)phosphine
C
3-phosphanyl-propionitrile
tris(2-cyanoethyl)phosphine
[Pt(C8H12)(C3H4NO)2]
[Pt(C3H4NO)2(P(CH2CH2CN)3)2]
Conditions | Yield |
---|---|
In dichloromethane pptn. with light petroleum, filtration, washing (light petroleum), drying (vac.); elem. anal.; | 100% |
tris(2-cyanoethyl)phosphine
3-(perfluorooctyl)propyl iodide
Conditions | Yield |
---|---|
at 130 - 160℃; for 11h; | 99.8% |
tris(2-cyanoethyl)phosphine
Fe2(CO)5(P(CH2CH2CN)3)(HCCHC6H5)P(C6H5)2
Conditions | Yield |
---|---|
In toluene byproducts: CO; (N2); refluxing a soln. of iron complex and phosphine in toluene for 20 min, cooling to room temp.; chromy (deactivated Al2O3, Et2O/light petroleum 2:3); elem. anal.; | 98% |
bis(benzonitrile)palladium(II) dichloride
tris(2-cyanoethyl)phosphine
trans-PdCl2(tris(cyanoethyl)phosphine)2
Conditions | Yield |
---|---|
In dichloromethane N2-atmosphere; dropwise addn. of 2 equiv. of phosphine to Pd-complex soln., stirring for 10 min (pptn.); filtration, washing (CH2Cl2), drying (vac.); elem. anal.; | 98% |
tris(2-cyanoethyl)phosphine
cis-PtMe2(tris(cyanoethyl)phosphine)2
Conditions | Yield |
---|---|
In acetone N2-atmosphere; dropwise addn. of ligand soln. to 0.5 equiv. of Pt-complex soln., stirring for 10 min; concn., pptn. on Et2O addn., filtration, washing (Et2O), drying (vac.); elem. anal.; | 97% |
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The CAS registry number of Propanenitrile,3,3',3''-phosphinidynetris- is 4023-53-4. It belongs to the product category of Tertiary Phosphines. This chemical is also named as 3,3',3''-Phosphinetriyltripropanenitrile. Its EINECS registry number is 223-687-0. In addition, its molecular formula is C9H12N3P and molecular weight is 193.18. Its IUPAC name is called 3-[bis(2-cyanoethyl)phosphanyl]propanenitrile.
Physical properties about Propanenitrile,3,3',3''-phosphinidynetris- are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.43; (8)ACD/KOC (pH 7.4): 17.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Flash Point: 212 °C; (13)Enthalpy of Vaporization: 68.17 kJ/mol; (14)Boiling Point: 426.9 °C at 760 mmHg.
Preparation: this chemical can be prepared by acrylonitrile. This reaction will need reagents PH3, KOH and solvents acetonitrile, H2O. The reaction time is 1 hour at ambient temperature. The yield is about 45 %.
Uses of Propanenitrile,3,3',3''-phosphinidynetris-: it can be used to produce 3,3',3''-phosphanetriyl-tri-propionic acid and hydrochloride by heating. It will need reagent conc. aq. HCl with reaction time of 2 hours. The yield is about 88 %.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCP(CCC#N)CCC#N
(2)InChI: InChI=1/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2
(3)InChIKey: CHZAMJVESILJGH-UHFFFAOYAA