Grundinformationen
- Standard-SMILES
O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O- InChIKey
YDONNITUKPKTIG-UHFFFAOYSA-N- Summenformel
- C3H12NO9P3
- Durchschnittliche Molmasse
- 299,05 g/mol
- Monoisotopische Masse
- 298,97249085
Überblick
[Nitrilotris(methylene)]trisphosphonic acid is a phosphonoacetic acid.
Namen und Bezeichner
- Bevorzugter Name
- Aminotrimethylene phosphonic acid
- IUPAC
- [bis(phosphonomethyl)amino]methylphosphonic acid
- Lokaler Name
- Nitrilotrimethylentris(phosphonsure)
- Englischer Name
- Amino tris(methylene phosphonic acid)
- Summenformel
- C3H12NO9P3
- Molmasse
- 299.05
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
20592-85-2、6419-19-8- PubChem CID
- 16698
- DTXSID
DTXSID2027624- ChEMBL
CHEMBL260191- ChEBI
CHEBI:168957- UNII
- 1Y702GD0FG
- EC Number
- 229-146-5、243-900-0
- Nikkaji
- J56.127D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -7,2
- Polarare Oberfläche (TPSA)
- 176 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 305
Experimentelle und physikochemische Eigenschaften
Melting Point
210 - 215 °C
-14 °C
Physical Description
Liquid
CBI; Liquid
Glassy solid; [CHEMINFO] Fine white crystals; [MSDSonline]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 215 °C · ~215 °C (dec.)
- Siedepunkt
- 746.2 · 746.2±70.0 °C(Predicted)
- Dichte
- 1.3 g/mL · 1.3 g/mL at 25 °C
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Water (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 0.56 · 0.56±0.10(Predicted)
- Farbe
- White
- PH
- 0.46 · 0.46
- Wasserlöslichkeit
- 500 g/L · 500g/L at 20℃
- BRN
- 1715724 · 1715724
- Stabilität
- Stable. Incompatible with bases, strong oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- CHELATING
- 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
- SMILES
- OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O
- LogP
- -3.5 · -3.5
- CAS Datenbank
- 6419 · 6419-19-8(CAS DataBase Reference)
- EPA chemische Informationen
- Aminotri(methylene phosphonic acid) (6419-19-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 8.2% (66 of 802) of reports.
Warning
H290 (48.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P390, and P406 (click each P-code to see the statement)
Aggregated GHS information provided per 802 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 96.5% (305 of 316) of all reports.
Gefahrenhinweise
Regulatory Information
Chemical: Phosphonic acid, P,Pâ²,Pâ²â²-[nitrilotris(methylene)]tris-
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15198
Status: Active Update: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14507
Aminotri(methylenephosphonic acid): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
Met. Corr. 1 (48.4%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
30 [mg/m3]
69 [mg/m3]
420 [mg/m3]
Sicherheitsdaten
- F
- 3-9
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 29319090
- RTECS-Nr.
- SZ9860000
- risk_code
- 36-34-35
- hazard_code
- Xi,C
- safety_code
- 26-45-36/37/39-25-44-36
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Met. Corr. 1
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Uses
Used mainly as a deflocculant and sequestrant (chelating or complexing agent) in industrial water treatment; Also used in cleaners and in stabilizers (peroxide solutions to bleach cotton, linen, jute, rayon, and paper); [CHEMINFO]
Pulp and Paper Processing [Category: Industry]
U.S. Production
2023: 2,500,000 - <4,000,000 lb
2023: 4,000,000 - <5,500,000 lb
Consumer Uses
Chelating agent
Chelating agent
Industry Uses
Lubricating agent
Cleaning agent
Use Classification
EPA Safer Chemical Functional Use Classes -> Oxidants and Oxidant Stabilizers
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Cosmetics -> Chelating
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-: ACTIVE
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?): ACTIVE
Anwendungen
VerwendenA powerful complexing agent. A potent acid sphingomyelinase inhibitor.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Verknüpfte Notizen
Wird geladen…