[Ethan-1,2-diylbis[nitrilobis(methylen)]]tetrakisphosphonsure

edtmp · Methylene Phosphonic Acid · EDTPO · EDITEMPA · ETHYLENEDIAMINE TETRA(METHYLENEPHOSPHONIC ACID) · EDTMPS·Na8 · sandeqingxi · Dequest 2041

https://huagongshe.com/de/chemical/15025

Molekülstruktur von [Ethan-1,2-diylbis[nitrilobis(methylen)]]tetrakisphosphonsure

Identifikatoren & physikalische Daten

CAS No.	1429-50-1
Summenformel	C6H20N2O12P4
Durchschnittliche Molmasse	436,12 g/mol
Monoisotopische Masse	435,9966706 g/mol
SMILES	O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChIKey	NFDRPXJGHKJRLJ-UHFFFAOYSA-N
PubChem CID	15025
ChEMBL	CHEMBL1208647
EC No.	215-851-5
DTXSID	DTXSID3061689
Lokaler Name	[Ethan-1,2-diylbis[nitrilobis(methylen)]]tetrakisphosphonsure

Chemische & physikalische Eigenschaften

XLogP	-11,2
Polarare Oberfläche (TPSA)	237
H-Brücken-Donoren	8
H-Brücken-Akzeptoren	14
Frei drehbare Bindungen	11
Schwere Atome	24
Formalladung	0
Komplexität	486
Stoffklassen	Other Classes -> Phosphate Compounds
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Kosmetika	Chelating
Physical Description	Solid[Sigma-Aldrich MSDS]
Schmelzpunkt	247 °C
Siedepunkt	878.7±75.0 °C(Predicted)
Dichte	1.993±0.06 g/cm3(Predicted)
Dampfdruck	0Pa at 25℃
Lagerbedingungen	Hygroscopic, -20°C Freezer, Under inert atmosphere
Löslichkeit	Aqueous Base (Slightly)19.6g/L at 20℃
Aggregatzustand	Solid
pKa (Säurekonstante)	0.13±0.10(Predicted)
Farbe	White
InChI	InChI=1S/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)
InChIKey	NFDRPXJGHKJRLJ-UHFFFAOYSA-N
SMILES	P(=O)(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
LogP (Verteilungskoeffizient)	-4.1
CAS Datenbank	1429-50-1(CAS DataBase Reference)
EPA chemische Informationen	Ethylenediamine tetrakis(methylene phosphonic acid) (1429-50-1)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (58.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 327 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]
Regulatorische Informationen	Chemical: Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-Status: Active Update: 24-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23979Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Gefahrenübersicht	Not sensitizing in guinea pigsNo evidence of mutagenicitySimilar phosphonate compounds demonstrate moderate skin and eye irritation and no evidence of teratogenicity[Reference #1] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Aminotrimethylene phosphonic acid.
Hazard Classes and Categories	Skin Irrit. 2 (58.7%)Carcinogenicity - Category 1B
TSCA-Inventar-Status	TSCA listed
Zollcode	29212900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39

Anwendungen & Verwendung

Verwenden

Ethylenediaminetetra(methylenephosphonic acid) is a nitrogenous polyphosphonic acid chelator is able to form complexes with various metal ions.