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Nitrilotrimethylene Triphosphonic Acid(CAS No. 6419-19-8)

Nitrilotrimethylene Triphosphonic Acid C3H12NO9P3 (cas 6419-19-8) Molecular Structure

6419-19-8 Structure

Identification and Related Records

【Name】
Nitrilotrimethylene Triphosphonic Acid
【CAS Registry number】
6419-19-8
【Synonyms】
Nitrilotri(methylphosphonic acid)
nitrilotrimethylenetris(phosphonic acid)
Tris(Methylene Phosphonic Acid) Amine
Amino Tri(methylene phosphonic acid)
ATMPA
ATMP
Aminotrimethylene Phoshonic Acid
Amino Trimethylene Phosphonic Acid
Nitrilotris(methylene)triphosphonic acid,50 wt% solution in water
AMINO,TRIS(METHYLENE PHOSPHONIC ACID)
【EINECS(EC#)】
229-146-5
【Molecular Formula】
C3H12NO9P3 (Products with the same molecular formula)
【Molecular Weight】
299.05
【Inchi】
InChI=1/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)
【Canonical SMILES】
C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
【MOL File】
6419-19-8.mol

Chemical and Physical Properties

【Appearance】
colourless liquid
【Density】
1.28 (50% aq.)
【Melting Point】
1.28 (50% aq.)
【Boiling Point】
746.2°C at 760 mmHg
【Flash Point】
405.1°C
【Stability】
Stable. Incompatible with bases, strong oxidizing agents.
【Computed Properties】
Molecular Weight:299.049963 [g/mol]
Molecular Formula:C3H12NO9P3
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
Formal Charge:0
Complexity:305
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:9
Feature 3D Anion Count:3
Feature 3D Cation Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R34
【Safety Statements 】
S25;S36/37/39;S45
【HazardClass】
8
【Safety】

Hazard Codes:?IrritantXi,?CorrosiveC
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

【PackingGroup 】
III
【Transport】
3265
【Specification】

?Aminotrimethylene phosphonic acid ,its CAS NO. is 6419-19-8,the synonyms is (Nitrilotris(methylene))trisphosphonic acid ; 4-01-00-03070 (Beilstein Handbook Reference) ; AI3-51572 ; Amino, tris(methylene phosphonic acid) ; Aminotri(methylene phosphonic acid) ; Aminotri(methylenephosphonic acid) ; Aminotris(methanephosphonic acid) ; BRN 1715724 ; Dequest 2000 ; Dowell L 37 ; EINECS 229-146-5 ; Ferrofos 509 ; Nitrilotrimethylenephosphonic acid ; Nitrilotrimethylphosphonic acid ; Nitrilotris(methylphosphonic acid) ; Tris(phosphonomethyl)amine ; Phosphonic acid, (nitrilotris(methylene))tri- ; Phosphonic acid, P,P',P''-(nitrilotris(methylene))tris- .

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