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Cas Database |
| Name |
Ethylenebis(nitrilodimethylene)tetraphosphonic acid |
EINECS | 215-851-5 |
| CAS No. | 1429-50-1 | Density | 1.993 g/cm3 |
| PSA | 275.84000 | LogP | -1.86880 |
| Solubility | 19.6g/L at 20℃ | Melting Point |
247 °C |
| Formula | C6H20N2O12P4 | Boiling Point | 878.7 °C at 760 mmHg |
| Molecular Weight | 436.126 | Flash Point | 485.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Phosphonicacid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis- (9CI);Phosphonicacid, [ethylenebis(nitrilodimethylene)]tetra- (6CI,7CI,8CI);EDPA;EDTMP;EDTPA;Editempa;Ethylenediamine-N,N,N',N'-tetra(methylphosphonic acid);Ethylenediaminetetramethylenephosphonate;N,N,N',N'-Tetrakis(phosphonomethyl)ethylenediamine;[Ethylenebis(nitrilodimethylene)]tetraphosphonic acid;EDTMPS; |
Article Data | 16 |
Ethylenebis(nitrilodimethylene)tetraphosphonic acid Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: ethylenediamine With hydrogenchloride; phosphonic Acid In water for 0.0333333h; Microwave irradiation; Stage #2: formaldehyd In water for 0.166667h; Irani-Moedritzer reaction; Microwave irradiation; | 63% |
| With hydrogenchloride; phosphonic Acid | |
| With hydrogenchloride; phosphonic Acid In water Heating; |
| Conditions | Yield |
|---|---|
| Stage #1: ethylenediamine With phosphorous acid In water at 136℃; Reflux; Stage #2: formaldehyd In water at 130 - 136℃; for 4.33333h; | A 48.2% B 28.8% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; phosphoric acid In water at 100℃; for 3h; | A 18.8% B 36.7% |
- 2565-58-4
chloromethylphosphonic acid
- 1898-63-1
ethylenediamino tris(methylenephosphonic acid)
- 1429-50-1
1,2-ethanediylbistetraphosphonic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| (i) aq. NaOH, (ii) /BRN= 605263/; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With sodium carbonate |
- 50-00-0
formaldehyd
- 107-15-3
ethylenediamine
A
- 1429-50-1
1,2-ethanediylbistetraphosphonic acid
B
- 1898-63-1
ethylenediamino tris(methylenephosphonic acid)
| Conditions | Yield |
|---|---|
| With phosphorous acid; methanesulfonic acid In water at 105 - 130℃; for 2.5 - 6h; Product distribution / selectivity; Heating / reflux; | A 40 - 73.6 %Spectr. B n/a |
| With phosphorous acid; methanesulfonic acid; sulfuric acid In water at 105℃; for 6.33333h; Product distribution / selectivity; Heating / reflux; | A 75.5 %Spectr. B n/a |
- 50-00-0
formaldehyd
- 107-15-3
ethylenediamine
A
- 1429-50-1
1,2-ethanediylbistetraphosphonic acid
B
- 1898-63-1
ethylenediamino tris(methylenephosphonic acid)
| Conditions | Yield |
|---|---|
| With hydrogenchloride; phosphorous acid In water at 110℃; for 3h; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| With phosphorus(III) oxide; methanesulfonic acid at 45 - 80℃; for 2h; | 94.5 %Spectr. |
- 98756-99-1
N,N,N',N'-tetrakis(hydroxymethyl)ethanediamine
- 1429-50-1
1,2-ethanediylbistetraphosphonic acid
| Conditions | Yield |
|---|---|
| Stage #1: N,N,N',N'-tetrakis(hydroxymethyl)ethanediamine With phosphorus(III) oxide; methanesulfonic acid at 50 - 80℃; for 1h; Stage #2: With water at 25℃; for 1h; Temperature; Concentration; |
Ethylenebis(nitrilodimethylene)tetraphosphonic acid Chemical Properties
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IUPAC Name: [2-[Bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
Molecular Formula: C6H20N2O12P4
Molecular Weight: 436.12 g/mol
Canonical SMILES: P(CN(CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O)(O)(O)=O
InChI: InChI=1/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
EINECS: 215-851-5
Classification Code: Chelating agents
Product Categories: Organics; Phosphonate antiscalant
XLogP3-AA: -11.2
H-Bond Donor: 8
H-Bond Acceptor: 14
Rotatable Bond Count: 11
Exact Mass: 435.99667
MonoIsotopic Mass: 435.99667
Topological Polar Surface Area: 237
Heavy Atom Count: 24
Complexity: 486
Index of Refraction: 1.622
Molar Refractivity: 77.06 cm3
Molar Volume: 218.7 cm3
Polarizability: 30.55×10-24 cm3
Surface Tension: 134.2 dyne/cm
Density: 1.993 g/cm3
Flash Point: 485.2 °C
Enthalpy of Vaporization: 138.57 kJ/mol
Boiling Point: 878.7 °C at 760 mmHg
Vapour Pressure of Ethylenebis(nitrilodimethylene)tetraphosphonic acid (CAS NO.1429-50-1): 2.43E-34 mmHg at 25 °C
Ethylenebis(nitrilodimethylene)tetraphosphonic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements of Ethylenebis(nitrilodimethylene)tetraphosphonic acid (CAS NO.1429-50-1): 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
Ethylenebis(nitrilodimethylene)tetraphosphonic acid Specification
Ethylenebis(nitrilodimethylene)tetraphosphonic acid (CAS NO.1429-50-1), its Synonyms are (Ethylenedinitrilo)-tetramethylenephosphonic acid ; Ethylenediamine tetrakis(methylene phosphonic acid) ; (Ethane-1,2-diylbis(nitrilobis(methylene)))tetrakisphosphonic acid ; Phosphonic acid, (1,2-ethanediylbis(nitrilobis(methylene)))tetrakis- ; Phosphonic acid, P,P',P'',P'''-(1,2-ethanediylbis(nitrilobis(methylene)))tetrakis- .
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