Grundinformationen
- Standard-SMILES
NCP(=O)(O)O- InChIKey
MGRVRXRGTBOSHW-UHFFFAOYSA-N- Summenformel
- CH6NO3P
- Durchschnittliche Molmasse
- 111,04 g/mol
- Monoisotopische Masse
- 111,00852968
Überblick
(aminomethyl)phosphonic acid is a member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate. It is a member of phosphonic acids and a one-carbon compound. It is functionally related to a phosphonic acid. It is a conjugate acid of an (aminomethyl)phosphonate(1-).
Namen und Bezeichner
- Bevorzugter Name
- (Aminomethyl)phosphonic acid
- IUPAC
- aminomethylphosphonic acid
- Englischer Name
- (Aminomethyl)phosphonic acid
- Summenformel
- CH6NO3P
- Molmasse
- 111.04
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1066-51-9- PubChem CID
- 14017
- DTXSID
DTXSID5037490- ChEMBL
CHEMBL41873- ChEBI
CHEBI:28812- UNII
- 90825O5C1U
- EC Number
- 623-325-5
- Nikkaji
- J138.614J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,7
- Polarare Oberfläche (TPSA)
- 83,6 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 74,9
Experimentelle und physikochemische Eigenschaften
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide (Aminomethylphosphonic acid (AMPA)) -> USDA PDB
Pesticide degradation product
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · 300 °C
- Siedepunkt
- 358 · 358.0±44.0 °C(Predicted)
- Dichte
- 0.6 · 0.6
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 50 mg/mL, · water: soluble50mg/mL, clear, colorless
- Aggregatzustand
- Fine Crystalline Powder
- pka
- 1 · pK1: 2.35;pK2: 5.9;pK3: 10.8 (25°C)
- Farbe
- White
- Wasserlöslichkeit
- soluble
- BRN
- 1701219 · 1701219
- Stabilität
- Stable. Incompatible with strong oxidizing agents. Protect from moisture.
- Major Application
- agricultureenvironmental
- InChI
- 1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
- InChIKey
- MGRVRXRGTBOSHW-UHFFFAOYSA-N
- SMILES
- NCP(O)(O)=O
- CAS Datenbank
- 1066 · 1066-51-9(CAS DataBase Reference)
- EPA chemische Informationen
- Aminomethylphosphonic acid (1066-51-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 79.2% (38 of 48) of all reports.
Warning
H315 (12.5%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phosphonic acid, (aminomethyl)-
Regulation (EC) No 178/2002 (amended)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
Aminomethylphosphonic acid
62649
Pesticide degradation product
Also see CASRN 1071836
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Sicherheitsdaten
- F
- 3-9
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29319090
- risk_code
- 36/37/38-35-39/23/24/25-20/21/22
- hazard_code
- Xi,C,T
- safety_code
- 26-36-24/25-45-36/37/39-36/37
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Anwendungen
Verwenden(Aminomethyl)phosphonic acid is used in the preparation of (acetylamino-methyl)-phosphonic acid by reacting with acetic anhydride. Further, it is used in the development of immobilized metal affinity chromatography column based on organic-inorganic hybrid silica monolith.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate.
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