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| CAS No.: | 513-08-6 |
|---|---|
| Name: | Tripropyl phosphate |
| Article Data: | 40 |
| Molecular Structure: | |
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|
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| Formula: | C9H21O4P |
| Molecular Weight: | 224.237 |
| Synonyms: | Propylphosphate ((PrO)3PO) (6CI);Tri-n-propyl phosphate;Tripropyl phosphate; |
| EINECS: | 208-151-6 |
| Density: | 1.017 g/cm3 |
| Boiling Point: | 253.7 °C at 760 mmHg |
| Flash Point: | 121.3 °C |
| Solubility: | 6.951g/L(30 oC) |
| Appearance: | COLORLESS LIQUID |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 54.57000 |
| LogP: | 3.37430 |
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Specification
The CAS register number of Tripropyl phosphate is 513-08-6. It also can be called as Tri-n-propyl phosphate and the IUPAC name about this chemical is Tripropyl phosphate. The molecular formula about this chemical is C9H21O4P and the molecular weight is 224.23. It belongs to the following product categories which include Organic Building Blocks; Organic Phosphates and Phosphites; Phosphorus Compounds and so on.
Physical properties about Tripropyl phosphate are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.67; (4)ACD/BCF (pH 5.5): 63.06; (5)ACD/BCF (pH 7.4): 63.06; (6)ACD/KOC (pH 5.5): 675.92; (7)ACD/KOC (pH 7.4): 675.92; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 54.57 Å2; (12)Index of Refraction: 1.42; (13)Molar Refractivity: 55.85 cm3; (14)Molar Volume: 220.3 cm3; (15)Polarizability: 22.14x10-24cm3; (16)Surface Tension: 31.3 dyne/cm; (17)Density: 1.017 g/cm3; (18)Flash Point: 121.3 °C; (19)Enthalpy of Vaporization: 47.12 kJ/mol; (20)Boiling Point: 253.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0288 mmHg at 25 °C.
Preparation: this chemical can be prepared by propan-1-ol. This reaction will need reagent of Zn3P2, CuCl2, O2, HCl. The reaction temperature is 46.9 °C.
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Uses of Tripropyl phosphate: it can be used to produce (2,2,2-trichloro-1-hydroxy-ethyl)-phosphonic acid dipropyl ester with trichloroacetaldehyde hydrate. This reaction will need solvent of hexane. This reaction needs heating. The yield is about 62%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. It may cause damage to health. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCCC)(OCCC)OCCC
(2)InChI: InChI=1/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
(3)InChIKey: RXPQRKFMDQNODS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
(5)Std. InChIKey: RXPQRKFMDQNODS-UHFFFAOYSA-N