Hexylphosphonic acid supplier

Name
N-HEXYLPHOSPHONIC ACID
EINECS
CAS No. 4721-24-8
Article Data11
CAS DataBase
Density 1.132 g/cm³
Solubility Insoluble in water.
Melting Point 108-110 °C
Formula C₆H₁₅O₃P
Boiling Point 299.7 °C at 760 mmHg
Molecular Weight 166.157
Flash Point 135 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols R22:; R34:; R43:; R48/22:;
Synonyms Phosphonic acid,hexyl- (6CI,7CI,8CI,9CI);1-Hexanephosphonic acid;Hexanephosphonic acid;Hexylphosphonic acid;NSC 222656;n-Hexylphosphonic acid;
PSA 67.34000
LogP 1.74440

Synthetic route

: 16165-66-5
diethyl hexylphosphonate

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
With trimethylsilyl bromide In methanol; dichloromethane at 20℃; Inert atmosphere;	100%

: 111-25-1
1-bromo-hexane

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
Stage #1: 1-bromo-hexane 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; Inert atmosphere;	61%
Multi-step reaction with 2 steps 1: heptane 2: concentrated aqueous HCl View Scheme
Multi-step reaction with 2 steps 1: 15 h / 150 °C / Inert atmosphere 2: trimethylsilyl bromide / dichloromethane; methanol / 20 °C / Inert atmosphere View Scheme

: 5929-66-8
dibutyl hexylphosphonate

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 592-41-6
1-hexene

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
With phosphonic Acid; dibenzoyl peroxide

: 928-64-3
hexylphosphonic acid dichloride

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
With water

: 6172-92-5
Hexyl-phosphonsaeure-dimethylester

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
With hydrogenchloride

: 110-54-3
hexane

tantalum oxide: tantalum oxide

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: PCl3, O2 2: H2O View Scheme

: 23897-48-5
Dimethyl-1-hexenylphosphonat

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / Pd-C / ethanol 2: aq. HCl View Scheme

: 26579-98-6
Dimethyl-1-diazohexan-phosphonat

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Cu / benzene 2: H2 / Pd-C / ethanol 3: aq. HCl View Scheme

: 26584-01-0
C15H25N2O5PS

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: aq. Na2CO3 / diethyl ether 2: Cu / benzene 3: H2 / Pd-C / ethanol 4: aq. HCl View Scheme

: 592-41-6
1-hexene

oxygen: oxygen

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 19 h / 33 °C / (γ-irradiation) 2: aq. HCl View Scheme

: 111-25-1
1-bromo-hexane

: 122-52-1
triethyl phosphite

: 4721-24-8
n-hexylphosphonic acid

Conditions

Conditions	Yield
Stage #1: 1-bromo-hexane; triethyl phosphite at 150℃; for 5h; Large scale; Stage #2: With hydrogenchloride In water at 60℃; for 10h; Large scale;	170 kg

: 4721-24-8
n-hexylphosphonic acid

: vanadia

: V(6+)*O(2-)*C6H13(1-)*PO3(3-)*H2O*C6H5CH2OH=VO(C6H13PO3)*H2O*C6H5CH2OH

Conditions

Conditions	Yield
With HCl; benzyl alcohol In benzyl alcohol V2O5 is added to a soln. of (C6H13)PO(OH)2 with mineral acid, while stirring and heating at 85°C for 6 h the orange suspension becomes green, blue as the rect. proceeds (without minaral acid the react. takes 3-14 days).; Isolated by filtration, washed with ether, dried under a N2 stream, elem. anal.;	95%

: 4721-24-8
n-hexylphosphonic acid

: 68254-68-2
zirconyl dichloride hydrate

: zirconium n-hexylphosphonate

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.;	87%

: 4721-24-8
n-hexylphosphonic acid

: 2,4,6-trihexyl-[1,3,5,2,4,6]-trioxatriphosphinane 2,4,6-trioxide

Conditions

Conditions	Yield
Stage #1: n-hexylphosphonic acid With acetic anhydride for 2h; Heating / reflux; Stage #2: at 350℃; under 0.0750075 - 75.0075 Torr;	75%

: 4721-24-8
n-hexylphosphonic acid

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

: [Ni(μ-H2O)(OOCCMe3)2(HOOCCMe3)2]2

: 75-05-8
acetonitrile

: [Ni6Y6(μ3-OH)2(μ2-OAc)2(O3P(n-hexyl))6(O2CtBu)16]

Conditions

Conditions	Yield
With triethylamine at 150℃; for 12h; Autoclave;	49%

...Expand

: 4721-24-8
n-hexylphosphonic 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-hexyl))6(O2CtBu)16]

Conditions

Conditions	Yield
With triethylamine at 150℃; for 12h; Autoclave;	46%

...Expand

: 4721-24-8
n-hexylphosphonic acid

: 538-75-0
dicyclohexyl-carbodiimide

: 72493-38-0
n-hexylphosphonic acid anhydride

Conditions

Conditions	Yield
With diethyl ether

: 4721-24-8
n-hexylphosphonic acid

A: 592-41-6
1-hexene

B: 110-54-3
hexane

Conditions

Conditions	Yield
With Escherichia coli RB 791 In water Product distribution; degradation and detoxification by cleavage of the carbon to phosphorus bond, and degradation by reaction of lead tetraacetate;

: 4721-24-8
n-hexylphosphonic acid

: 1002-53-5
dibutylstannane

: {(C4H9)2SnOP(O)C6H13O}n

Conditions

Conditions	Yield
In cyclohexane boiling on reflux;;
In cyclohexane boiling on reflux;;
In cyclohexane boiling on reflux;;

: 4721-24-8
n-hexylphosphonic acid

: 7732-18-5
water

: copper dichloride

: Cu(2+)*CH3(CH2)5PO3(2-)*H2O=Cu(CH3(CH2)5PO3)*H2O

Conditions

Conditions	Yield
With KOH In water aq. soln. of CuCl2 added dropwise to aq. soln. of acid and KOH (1.07:0.82:1.64 molar ratio), mixt. stirred overnight at room temp.; filtered off, washed (H2O, EtOH), dried at room temp.;

...Expand

: zirconyl propionate

: 4721-24-8
n-hexylphosphonic acid

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

: Zr(O3POH)1.7(hexylphosphonate)0.3*(x)H2O

Conditions

Conditions	Yield
Stage #1: zirconyl propionate; phosphoric acid In propan-1-ol at 20℃; Stage #2: n-hexylphosphonic acid In propan-1-ol at 20℃; for 72h;

...Expand

: zirconyl propionate

: 4721-24-8
n-hexylphosphonic acid

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

: Zr(O3POH)1.46(hexylphosphonate)0.54*(x)H2O

Conditions

Conditions	Yield
Stage #1: zirconyl propionate; phosphoric acid In propan-1-ol at 20℃; Stage #2: n-hexylphosphonic acid In propan-1-ol at 20℃; for 72h;

...Expand

: zirconyl propionate

: 4721-24-8
n-hexylphosphonic acid

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

: Zr(O3POH)1.13(hexylphosphonate)0.87*(x)H2O

Conditions

Conditions	Yield
Stage #1: zirconyl propionate; phosphoric acid In propan-1-ol at 20℃; Stage #2: n-hexylphosphonic acid In propan-1-ol at 20℃; for 72h;

...Expand

: 4721-24-8
n-hexylphosphonic acid

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

: 3Fe(3+)*O(2-)*7C5H9O2(1-)*3C5H10O2

: 6Fe(3+)*6Gd(3+)*2O(2-)*18C5H9O2(1-)*CO3(2-)*6C6H13O3P(2-)

Conditions

Conditions	Yield
Stage #1: n-hexylphosphonic acid; [GdIII2 (O2CtBu)6(HO2CtBu)6]; 3Fe(3+)O(2-)7C5H9O2(1-)*3C5H10O2 With triethylamine In acetonitrile at 20℃; for 0.0833333h; Stage #2: In acetonitrile at 150℃; for 12h; Autoclave;

...Expand

: 4721-24-8
n-hexylphosphonic acid

: C56H58N2O12

: C56H58N2O12*C6H15O3P

Conditions

Conditions	Yield
In chloroform-d1 at 24.84℃;

: 4721-24-8
n-hexylphosphonic acid

: cyanostar

: 2C65H65N5*2C6H14O3P(1-)

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In dichloromethane-d2 at 24.84℃;

Hexylphosphonic acid Specification

This chemical is called Hexylphosphonic acid, and its CAS registry number is 4721-24-8. With the molecular formula of C₆H₁₅O₃P, its molecular weight is 166.16. Additionally, it should be sealed in the cool and dry environment.

Other characteristics of the Hexylphosphonic acid can be summarised as followings: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 45.34 Å²; (11)Index of Refraction: 1.454; (12)Molar Refractivity: 39.78 cm³; (13)Molar Volume: 146.7 cm³; (14)Polarizability: 15.77×10^-24cm³; (15)Surface Tension: 43.3 dyne/cm; (16)Density: 1.132 g/cm³; (17)Flash Point: 135 °C; (18)Enthalpy of Vaporization: 59.36 kJ/mol; (19)Boiling Point: 299.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000278 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=P(O)(O)CCCCCC
2.InChI: InChI=1/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)
3.InChIKey: GJWAEWLHSDGBGG-UHFFFAOYAM

Product Name

N-HEXYLPHOSPHONIC ACID

Synthetic route

Hexylphosphonic acid Specification

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