1-Octylphosphonic acid supplier

Name
N-OCTYLPHOSPHONIC ACID
EINECS 225-218-5
CAS No. 4724-48-5
Article Data24
CAS DataBase
Density 1.08 g/cm³
Solubility Slightly soluble in organic solvents and water.
Melting Point 100-102 °C
Formula C₈H₁₉O₃P
Boiling Point 327.5 °C at 760 mmHg
Molecular Weight 194.211
Flash Point 151.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms Phosphonic acid,octyl- (6CI,7CI,8CI,9CI);Octanephosphonic acid;Octylphosphonic acid;n-Octyl-1-phosphonic acid;n-Octylphosphonic acid;
PSA 67.34000
LogP 2.52460

Synthetic route

: 111-66-0
oct-1-ene

: 4724-48-5
n-octylphosphonic acid

Conditions

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

: 111-83-1
1-bromo-octane

: 4724-48-5
n-octylphosphonic acid

Conditions

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

: C22H31O3P

: 4724-48-5
n-octylphosphonic acid

Conditions

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%

: 6196-68-5
octylphosphinic acid

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
With potassium permanganate; sodium hydroxide In water at 15℃; for 5h; Cooling with ice;	94%

: 1068-07-1
diethyl octylphosphonate

: 4724-48-5
n-octylphosphonic acid

Conditions

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%

: 14576-75-1
diisopropyl octylphosphonate

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In toluene at 120℃; for 50h; Sealed tube; Schlenk technique; Inert atmosphere;	61%

: 111-66-0
oct-1-ene

A: 4724-48-5
n-octylphosphonic acid

B: 101440-33-9
2-hexyldecylphosphonic acid

Conditions

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

: 5929-67-9
dibutyl octylphosphonate

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 6172-97-0
octyl-phosphonic acid dimethyl ester

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 10052-97-8
n-Octyl-phosphinoxid

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In methanol

: 111-66-0
oct-1-ene

: 110-05-4
di-tert-butyl peroxide

: 86119-84-8, 7664-38-2
phosphoric acid

A: 4724-48-5
n-octylphosphonic acid

B: 101440-33-9
2-hexyldecylphosphonic acid

Conditions

Conditions	Yield
at 90℃;

...Expand

: 111-66-0
oct-1-ene

: 86119-84-8, 7664-38-2
phosphoric acid

: 94-36-0
dibenzoyl peroxide

A: 4724-48-5
n-octylphosphonic acid

B: 101440-33-9
2-hexyldecylphosphonic acid

Conditions

Conditions	Yield
at 90℃;

...Expand

: 111-66-0
oct-1-ene

: 86119-84-8, 7664-38-2
phosphoric acid

aqueous dioxane: aqueous dioxane

A: 4724-48-5
n-octylphosphonic acid

B: 101440-33-9
2-hexyldecylphosphonic acid

Conditions

Conditions	Yield
im UV-Licht.Irradiation;

...Expand

: 281199-47-1
2-octyl-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane 2-oxide

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
Stage #1: 2-octyl-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane 2-oxide With trimethylsilyl bromide In dichloromethane at 20℃; for 16h; Stage #2: In methanol; dichloromethane at 20℃; for 2h; Further stages.;

: 111-66-0
oct-1-ene

A: 4724-48-5
n-octylphosphonic acid

B: 6196-68-5
octylphosphinic acid

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); hypophosphorous acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; oxygen In N,N-dimethyl-formamide at 85℃; Product distribution; Further Variations:; Solvents; Reagents; reactants concentratio;	A 53 % Spectr. B 34 % Spectr.

: 111-66-0
oct-1-ene

trideuterioammonia: trideuterioammonia

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 17 h / 33 °C / (γ-irradiation) 2: aq. HCl View Scheme
Multi-step reaction with 3 steps 1: PH3 2: aq. H2O2 / methanol 3: aq. H2O2 / methanol View Scheme

: 3095-90-7
octylphosphine

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. H2O2 / methanol 2: aq. H2O2 / methanol View Scheme

: 3466-00-0
bisphospholane

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
In water

: 158074-31-8
C14H35O3PSi2

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
With hydrogenchloride at 20 - 50℃; for 22h;

: 17049-49-9
octylmagnesium bromide

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: trichlorophosphate / diethyl ether / Inert atmosphere 2: water / diethyl ether / 25.58 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: zinc(II) chloride / diethyl ether / 2.17 h / 0 - 20 °C / Inert atmosphere 2: trichlorophosphate / diethyl ether / 51 h / 0 - 20 °C / Inert atmosphere 3: water / diethyl ether / 25.58 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: cadmium(II) chloride / diethyl ether / 20 °C / Inert atmosphere 2: trichlorophosphate / diethyl ether / 45 h / 0 - 20 °C / Inert atmosphere; Reflux 3: water / diethyl ether / 25.58 h / 20 °C View Scheme

: 64054-30-4
dioctylcadmium

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: trichlorophosphate / diethyl ether / 45 h / 0 - 20 °C / Inert atmosphere; Reflux 2: water / diethyl ether / 25.58 h / 20 °C View Scheme

: 14403-26-0
dioctylzinc

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: trichlorophosphate / diethyl ether / 51 h / 0 - 20 °C / Inert atmosphere 2: water / diethyl ether / 25.58 h / 20 °C View Scheme

: 3095-94-1
Octyl-P(O)Cl2

: 4724-48-5
n-octylphosphonic acid

Conditions

Conditions	Yield
With water In diethyl ether at 20℃; for 25.58h;	0.49 g

: 4724-48-5
n-octylphosphonic acid

: 68254-68-2
zirconyl dichloride hydrate

: 807322-41-4
1-hydroxynonyl-1-phosphonic acid

: (zirconium (n-octylphosphonate)1.8 (9-hydroxynonyl-1-phosphonate)0.2)

Conditions

Conditions	Yield
With HF In propan-1-ol; water N2, Zr compd. dissolved in water with HF, a soln. of P compds. (H2O?1-propanol) added dropwise, HF added, refluxed 90-100°C for 5-7 d; ppt. washed (H2O, i-propanol, acetone, diethyl ether), dried (110°C, 24 h); elem. anal.;	99%

...Expand

: 4724-48-5
n-octylphosphonic acid

: 68254-68-2
zirconyl dichloride hydrate

: zirconium n-octylphosphonate

Conditions

Conditions	Yield
With hydrofluoric acid In propan-1-ol; water N2, Zr compd. dissolved in water with HF, a soln. of P compd. (H2O/1-propanol) added dropwise, HF added, refluxed 90-100°C for 5-7 d; ppt. washed (H2O, i-propanol, acetone, diethyl ether), dried (110°C, 24 h); elem. anal.;	95%

: K8[γ-SiW10O36]*12H2O

: 4724-48-5
n-octylphosphonic acid

: 64-20-0
tetramethylammonium bromide

: γ-(tetramethylammonium)3K[SiW10O36(OPC8H17)2]

Conditions

Conditions	Yield
With hydrogenchloride In acetonitrile Reflux;	63%

...Expand

: 4724-48-5
n-octylphosphonic acid

: α-Na10[SiW9O34]

: 64-20-0
tetramethylammonium bromide

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: (tetramethylammonium)2,5Na3,5[SiW9O34(OPC8H17)2] dimethylformamide solvate

Conditions

Conditions	Yield
With hydrogenchloride at 100℃;	61%

...Expand

: 4724-48-5
n-octylphosphonic acid

: 72492-60-5
P,P'-(di-n-octyl) dihydrogen pyrophosphonic acid

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In diethyl ether at 20℃; for 0.416667h;	57%

: 4724-48-5
n-octylphosphonic acid

: [Y2III(O2CtBu)6(HO2CtBu)6]

: [Ni(μ-H2O)(OOCCMe3)2(HOOCCMe3)2]2

: 75-05-8
acetonitrile

: [Ni6Gd6(μ3-OH)2(μ2-OAc)2(O3P(n-octyl))6(O2CtBu)16]

Conditions

Conditions	Yield
With triethylamine at 150℃; for 12h; Autoclave;	54%

...Expand

: 4724-48-5
n-octylphosphonic acid

: [GdIII2 (O2CtBu)6(HO2CtBu)6]

: [Ni(μ-H2O)(OOCCMe3)2(HOOCCMe3)2]2

: 75-05-8
acetonitrile

: [Ni6Gd6(μ3-OH)2(μ2-OAc)2(O3P(n-octyl))6(O2CtBu)16]*4CH3CN

Conditions

Conditions	Yield
With triethylamine at 150℃; for 12h; Autoclave;	53%

...Expand

: 4724-48-5
n-octylphosphonic acid

: α-Na10[SiW9O34]

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: Na6[SiW9O34(OPC8H17)2] dimethylformamide solvate

Conditions

Conditions	Yield
With hydrogenchloride at 100℃;	51%

...Expand

: 4724-48-5
n-octylphosphonic acid

: 74-88-4
methyl iodide

: 6172-97-0
octyl-phosphonic acid dimethyl ester

Conditions

Conditions	Yield
With caesium carbonate In acetonitrile	35%

: 4724-48-5
n-octylphosphonic acid

: 129715-25-9
N-(2-hydroxyethyl)-N,N-dimethyloctane-1-aminium 4-methylbenzenesulphonate

: 1616596-39-4
2-[dimetyl(octyl)ammonio]ethyl octylphosphonate

Conditions

Conditions	Yield
Stage #1: n-octylphosphonic acid With pyridine at 50℃; for 2h; Stage #2: N-(2-hydroxyethyl)-N,N-dimethyloctane-1-aminium 4-methylbenzenesulphonate With pyridine; 2,4,6-triisopropylphenylsulfonyl chloride at 40℃; Stage #3: With water In pyridine at 20℃; for 1h;	33%

: 4724-48-5
n-octylphosphonic acid

: 1616596-38-3
N-(2-hydroxyethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tride-cafluorooctane-1-ammonium tosylate

: 1616596-40-7
2-[dimetyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)ammonio]ethyl octylphosphonate

Conditions

Conditions	Yield
Stage #1: n-octylphosphonic acid With pyridine at 50℃; for 2h; Stage #2: N-(2-hydroxyethyl)-N,N-dimethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tride-cafluorooctane-1-ammonium tosylate With pyridine; 2,4,6-triisopropylphenylsulfonyl chloride at 40℃; Stage #3: With water In pyridine at 20℃; for 1h;	22%

: 16879-02-0
6-chloro-2-hydroxypyridine

: 15684-35-2
cobalt(II) tetrafluoroborate hexahydrate

: 4724-48-5
n-octylphosphonic acid

: [Co14(OH)2F2(6-chloro-2-hydroxypyridine(1-))20(O3P-n-octyl)2(H2O)2]

Conditions

Conditions	Yield
With triethylamine In acetonitrile to soln. Co salt in MeCN 6-chloro-2-hydroxypyridine, RPO3H2 and Et3N were added and stirred for 6 h; soln. was filtered and evapd., residue was extd. with CH2Cl2 and layeredwith hexane; elem. anal.;	17%

...Expand

: 4724-48-5
n-octylphosphonic acid

: 3095-94-1
Octyl-P(O)Cl2

Conditions

Conditions	Yield
With phosphorus pentachloride In toluene at 110℃; for 3h;

: 4724-48-5
n-octylphosphonic acid

: 76742-18-2
cytidine 5'-monophosphomorpholidate 4-morpholine-N,N'-dicyclohexylcarboxamidine salt

: C17H31N3O10P2

Conditions

Conditions	Yield
With pyridine at 25 - 35℃; for 80h;

: 4724-48-5
n-octylphosphonic acid

: 7722-84-1
dihydrogen peroxide

: 71-43-2
benzene

MoO3: MoO3

compound C16H36MoO10P2: compound C16H36MoO10P2

...Expand

1-Octylphosphonic acid Specification

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%.

1-Octylphosphonic acid can be prepared by octyl-phosphonic acid diethyl ester

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%.

1-Octylphosphonic acid can react with iodomethane to get octyl-phosphonic acid dimethyl ester

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

Product Name

N-OCTYLPHOSPHONIC ACID

Synthetic route

1-Octylphosphonic acid Specification

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