Products Categories
CAS No.: | 4724-48-5 |
---|---|
Name: | N-OCTYLPHOSPHONIC ACID |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C8H19O3P |
Molecular Weight: | 194.211 |
Synonyms: | Phosphonic acid,octyl- (6CI,7CI,8CI,9CI);Octanephosphonic acid;Octylphosphonic acid;n-Octyl-1-phosphonic acid;n-Octylphosphonic acid; |
EINECS: | 225-218-5 |
Density: | 1.08 g/cm3 |
Melting Point: | 100-102 °C |
Boiling Point: | 327.5 °C at 760 mmHg |
Flash Point: | 151.8 °C |
Solubility: | Slightly soluble in organic solvents and water. |
Hazard Symbols: | R34:Causes burns.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 67.34000 |
LogP: | 2.52460 |
Conditions | Yield |
---|---|
With hypophosphorous acid; palladium; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In water; N,N-dimethyl-formamide at 110℃; for 24h; | 100% |
With tris-(dibenzylideneacetone)dipalladium(0); hypophosphorous acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; oxygen In N,N-dimethyl-formamide at 110℃; for 20h; | |
Multi-step reaction with 2 steps 1: tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / tetrahydrofuran / 9 h / 70 °C 2: sodium hydroxide; potassium permanganate / water / 5 h / 15 °C / Cooling with ice View Scheme |
Conditions | Yield |
---|---|
Stage #1: 1-bromo-octane With aluminum (III) chloride; triethyl phosphite at 20 - 160℃; for 7h; Stage #2: With hydrogen bromide In water for 5h; Reagent/catalyst; Temperature; Reflux; | 95.1% |
Stage #1: 1-bromo-octane With potassium hydroxide semihydrate; phosphorus; cetyltrimethylammonim bromide In water; toluene at 85 - 90℃; for 6h; Inert atmosphere; Stage #2: With nitric acid In water at 100 - 110℃; for 2h; pH=4; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; | 70% |
Multi-step reaction with 2 steps 1: hexane 2: concentrated aqueous HCl View Scheme | |
Multi-step reaction with 2 steps 2: aq. HCl View Scheme | |
Multi-step reaction with 2 steps 1: 8 h / 100 °C / Inert atmosphere 2: hydrogen bromide / 2.5 h / 160 °C / Dean-Stark View Scheme |
n-octylphosphonic acid
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In toluene at 100℃; for 24h; Sealed tube; Schlenk technique; Inert atmosphere; | 95% |
With trifluorormethanesulfonic acid In benzene at 80℃; for 24h; Inert atmosphere; | 72% |
Conditions | Yield |
---|---|
With potassium permanganate; sodium hydroxide In water at 15℃; for 5h; Cooling with ice; | 94% |
Conditions | Yield |
---|---|
With hydrogenchloride for 24h; Heating; | 86% |
With hydrogenchloride; sulfuric acid at 35 - 118℃; Temperature; Autoclave; | 82.6% |
With hydrogen bromide at 160℃; for 2.5h; Dean-Stark; | 70% |
diisopropyl octylphosphonate
n-octylphosphonic acid
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In toluene at 120℃; for 50h; Sealed tube; Schlenk technique; Inert atmosphere; | 61% |
Conditions | Yield |
---|---|
With 1,4-dioxane; phosphonic Acid; dibenzoyl peroxide | |
With 1,4-dioxane; phosphonic Acid; di-tert-butyl peroxide | |
With phosphoric acid; dibenzoyl peroxide | |
With 1,4-dioxane; di-tert-butyl peroxide; phosphoric acid |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With hydrogenchloride |
n-Octyl-phosphinoxid
n-octylphosphonic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide In methanol |
What can I do for you?
Get Best Price
The CAS registry number of 1-Octylphosphonic acid is 4724-48-5. Its EINECS registry number is 225-218-5. In addition, the molecular formula is C8H19O3P. The IUPAC name is octylphosphonic acid. What's more, it should be stored in sealed container, and put them in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP:1.70; (2)ACD/LogD (pH 5.5):-1.22; (3)ACD/LogD (pH 7.4):-1.85; (4)ACD/BCF (pH 5.5):1; (5)ACD/BCF (pH 7.4):1; (6)ACD/KOC (pH 5.5):1; (7)ACD/KOC (pH 7.4):1; (8)#H bond acceptors:3; (9)#H bond donors:2; (10)#Freely Rotating Bonds:7; (11)Polar Surface Area:45.34 Å2; (12)Index of Refraction:1.458; (13)Molar Refractivity:49.05 cm3; (14)Molar Volume:179.7 cm3; (15)Polarizability:19.44 ×10-24cm3; (16)Surface Tension:41.4 dyne/cm; (17)Density:1.08 g/cm3; (18)Flash Point:151.8 °C; (19)Enthalpy of Vaporization:62.63 kJ/mol; (20)Boiling Point:327.5 °C at 760 mmHg; (21)Vapour Pressure:4.02E-05 mmHg at 25°C.
Preparation of 1-Octylphosphonic acid: it can be prepared by octyl-phosphonic acid diethyl ester. This reaction will need reagent conc. aq. HCl. The reaction time is 24 hours by heating. The yield is about 86%.
Uses of 1-Octylphosphonic acid: it can react with iodomethane to get octyl-phosphonic acid dimethyl ester. This reaction will need reagent Cs2CO3 and solvent acetonitrile. The yield is about 35%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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(O)(O)CCCCCCCC
(2)InChI: InChI=1/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)
(3)InChIKey: NJGCRMAPOWGWMW-UHFFFAOYAB