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| CAS No.: | 6419-19-8 |
|---|---|
| Name: | Phosphonic acid,P,P',P''-[nitrilotris(methylene)]tris- |
| Article Data: | 15 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C3H12NO9P3 |
| Molecular Weight: | 299.051 |
| Synonyms: | Phosphonicacid, [nitrilotris(methylene)]tri- (6CI,7CI,8CI);Phosphonic acid,[nitrilotris(methylene)]tris- (9CI);1,1,1-Nitrilotris(methylphosphonic acid);ATMP (phosphonic acid);Aminotri(methylenephosphonic acid);Briquest 301;Briquest 301-50A;Chelest PH320;Cublen AP 1;Dequest 2000;Dequest 2001;Ferrofos 509;Mayoquest 1320;NTP-A;Nitrilo-N,N,N-trimethylenephosphonic acid;Nitrilotrimethanephosphonic acid;Sequion 20H45;Sequion OA;Unihib 305;WSI 3300;[Nitrilotris(methylene)]triphosphonic acid;a,a',a''-Aminotris(methylphosphonicacid); |
| EINECS: | 229-146-5 |
| Density: | 2.094 g/cm3 |
| Melting Point: | ~215 °C (dec.) |
| Boiling Point: | 746.2 °C at 760 mmHg |
| Flash Point: | 405.1 °C |
| Solubility: | N/A |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 36-34 |
| Safety: | 26-45-36/37/39-25 |
| Transport Information: | N/A |
| PSA: | 205.26000 |
| LogP: | -1.30600 |
| Conditions | Yield |
|---|---|
| With phosphoric acid; ammonia In water at 126 - 136℃; for 4h; Product distribution / selectivity; | 72% |
| With hydrogenchloride; phosphonic Acid; ammonium chloride | |
| With ammonium chloride; phosphorus trichloride |
N-(triphenylmethyl)methanimine
acetic anhydride
A
Aminomethylphosphonic acid
B
nitrilo-tris(methylenephosphonic acid)
C
(iminobismethylene)bisphosphonic acid
| Conditions | Yield |
|---|---|
| Stage #1: acetic anhydride With phosphonic Acid at 0 - 20℃; Stage #2: N-(triphenylmethyl)methanimine at 0℃; Stage #3: With hydrogenchloride; water for 8h; Reflux; | A 54% B 9 %Spectr. C 13 %Spectr. |
P,P',P''-azanetriyltrimethyl-tris-phosphonic acid hexaethyl ester
nitrilo-tris(methylenephosphonic acid)
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 130 - 140℃; | |
| With hydrogenchloride Heating; |
formaldehyd
A
nitrilo-tris(methylenephosphonic acid)
B
hydroxymethylphosphonic acid
| Conditions | Yield |
|---|---|
| With ammonium chloride; phosphorus trichloride Mechanism; |
N,N-methylenediacetamide
A
Aminomethylphosphonic acid
B
nitrilo-tris(methylenephosphonic acid)
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic acid; phosphorus trichloride 1) 1h, reflux 2) 12h, reflux; Yield given. Multistep reaction. Yields of byproduct given; |
formaldehyd
hexamethylenetetramine
A
Aminomethylphosphonic acid
B
nitrilo-tris(methylenephosphonic acid)
C
(iminobismethylene)bisphosphonic acid
D
N-methyliminobis(methylphosphonic acid)
| Conditions | Yield |
|---|---|
| With phosphoric acid Mechanism; Product distribution; |
formaldehyd
A
nitrilo-tris(methylenephosphonic acid)
B
N-methyliminobis(methylphosphonic acid)
| Conditions | Yield |
|---|---|
| With hydrogenchloride; phosphorus(III) oxide; water; ammonium chloride at 100 - 110℃; Product distribution / selectivity; Inert atmosphere; |
nitrilotriacetic acid
A
nitrilo-tris(methylenephosphonic acid)
B
aminotrismethylenephosphonic acid N-oxide
| Conditions | Yield |
|---|---|
| With phosphorus(III) oxide; trifluorormethanesulfonic acid at 45 - 50℃; for 3h; | A 8.5 %Spectr. B 9.5 %Spectr. |
| Conditions | Yield |
|---|---|
| With phosphorus(III) oxide; methanesulfonic acid at 75℃; for 0.5h; Concentration; Reagent/catalyst; Time; Temperature; | 95.6 %Spectr. |
| Conditions | Yield |
|---|---|
| Stage #1: ammonium bicarbonate With hydrogenchloride; phosphorous acid at 50℃; for 4.5h; Large scale; Stage #2: formaldehyd at 95 - 110℃; for 21h; Temperature; Large scale; |
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Molecule structure of Amino Trimethylene Phosphonic Acid (ATMP) (CAS NO.6419-19-8) :
IUPAC Name: [bis(phosphonomethyl)amino]methylphosphonic acid
Molecular Weight: 299.049963 g/mol
Molecular Formula: C3H12NO9P3
Density: 2.094 g/cm3
Melting Point: ~215 °C
Boiling Point: 746.2 °C at 760 mmHg
Flash Point: 405.1 °C
Appreance: colourless liquid
Molar Volume: 142.7 cm3
Polarizability: 19.62*10-24 cm3
Surface Tension: 143.1 dyne/cm
Enthalpy of Vaporization: 118.39 kJ/mol
Vapour Pressure: 2.29E-24 mmHg at 25 °C
XLogP3-AA: -7.2
H-Bond Donor: 6
H-Bond Acceptor: 10
Rotatable Bond Count: 6
Exact Mass: 298.972491
MonoIsotopic Mass: 298.972491
Topological Polar Surface Area: 176
Heavy Atom Count: 16
Complexity: 305
Canonical SMILES: C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13) InChIKey: YDONNITUKPKTIG-UHFFFAOYSA-N
EINECS: 229-146-5
Product Categories: Phosphonate antiscalant; Organic Building Blocks; Phosphonic/Phosphinic Acids; Phosphorus Compounds
Amino Trimethylene Phosphonic Acid (ATMP) (CAS NO.6419-19-8) is used for cooling water, boiler water, oilfield water treatment and corrosion inhibitor.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| duck | LD50 | oral | > 2510mg/kg (2510mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-0937, | |
| quail | LD50 | oral | > 2510mg/kg (2510mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-0937, | |
| rabbit | LD50 | skin | > 6310mg/kg (6310mg/kg) | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-0937, | |
| rat | LD50 | oral | 2100mg/kg (2100mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(2), Pg. 67, 1984. |
Hazard Codes: 
Xi, 
C
Risk Statements: 36-34
R36: Irritating to eyes
R34: Causes burns
Safety Statements: 26-45-36/37/39-25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S25: Avoid contact with eyes
RIDADR: 3265
WGK Germany: 1
RTECS: SZ9860000
F: 3-9
HazardClass: 8
PackingGroup: III
Amino Trimethylene Phosphonic Acid (ATMP) (CAS NO.6419-19-8) is also called Nitrilotris(methylene))trisphosphonic acid ; 4-01-00-03070 (Beilstein Handbook Reference) ; AI3-51572 ; Amino, tris(methylene phosphonic acid) ; Aminotri(methylene phosphonic acid) ; Aminotris(methylphosphonic acid) . Amino Trimethylene Phosphonic Acid (ATMP) (CAS NO.6419-19-8) is stable and incompatible with bases, strong oxidizing agents.
