Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Hexylphosphonic acid |
EINECS | N/A |
CAS No. | 4721-24-8 | Density | 1.132 g/cm3 |
PSA | 67.34000 | LogP | 1.74440 |
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 | N/A | Appearance | N/A |
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; |
Article Data | 11 |
diethyl hexylphosphonate
n-hexylphosphonic acid
Conditions | Yield |
---|---|
With trimethylsilyl bromide In methanol; dichloromethane at 20℃; Inert atmosphere; | 100% |
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 |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With phosphonic Acid; dibenzoyl peroxide |
Conditions | Yield |
---|---|
With water |
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: PCl3, O2 2: H2O View Scheme |
Dimethyl-1-hexenylphosphonat
n-hexylphosphonic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: H2 / Pd-C / ethanol 2: aq. HCl View Scheme |
Dimethyl-1-diazohexan-phosphonat
n-hexylphosphonic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Cu / benzene 2: H2 / Pd-C / ethanol 3: aq. HCl View Scheme |
C15H25N2O5PS
n-hexylphosphonic acid
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 |
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