Grundinformationen
- Standard-SMILES
O=C(O)CCP(=O)(O)O- InChIKey
NLBSQHGCGGFVJW-UHFFFAOYSA-N- Summenformel
- C3H7O5P
- Durchschnittliche Molmasse
- 154,06 g/mol
- Monoisotopische Masse
- 154,00310995
Überblick
structure
Namen und Bezeichner
- Bevorzugter Name
- 3-Phosphonopropionic acid
- IUPAC
- 3-phosphonopropanoic acid
- Lokaler Name
- 3-Phosphonopropionsure
- Englischer Name
- 3-PHOSPHONOPROPIONIC ACID
- Summenformel
- C3H7O5P
- Molmasse
- 154.06
Namen und Synonyme
3-Phosphonopropionic acid5962-42-5Propanoic acid, 3-phosphono-beta-Phosphonopropionic acidCEPA cpdcarboxyethylphosphonic acidDTXSID3064069RefChem:567950DTXCID6042656227-738-83-phosphonopropanoic acid2-CARBOXYETHYLPHOSPHONIC ACID
Weitere Namen anzeigen
PHOSPHONOPROPIONICACID3-phosphono-propanoicaci3-PhosphonopropionicAcid>3-Phosphonopropionicacid,94%3-Phosphonopropanoic acid 5GR
1iigEINECS 227-738-8(2-Carboxyethyl)phosphonic Acid8DM1R7808M3-phosphopropionateMFCD00002770CHEMBL1088324UNII-8DM1R7808M
Datenbank-Bezeichner
- CAS
5962-42-5- PubChem CID
- 1682
- DTXSID
DTXSID3064069- ChEMBL
CHEMBL1088324- UNII
- 8DM1R7808M
- EC Number
- 227-738-8
- Nikkaji
- J223.912D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,1
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 146
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 °C · 165 °C
- Siedepunkt
- 459.8 · 459.8±47.0 °C(Predicted)
- Dichte
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.518 · 1.5180 (estimate)
- Flammpunkt
- 150 °C · 150 °C
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.16 · 2.16±0.10(Predicted)
- Aggregatzustand
- Powder
- Farbe
- White
- Wasserlöslichkeit
- 328 g/L · 328g/L(20 ºC)
- BRN
- 1768923 · 1768923
- InChI
- 1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
- InChIKey
- NLBSQHGCGGFVJW-UHFFFAOYSA-N
- SMILES
- OC(=O)CCP(O)(O)=O
- CAS Datenbank
- 5962 · 5962-42-5
- EPA chemische Informationen
- 3 · 3-Phosphonopropionic acid (5962-42-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.
Danger
H314 (56%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Propanoic acid, 3-phosphono-
Hazard Classes and CategoriesSkin Corr. 1B (56%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29319090
- RTECS-Nr.
- UA2558437
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPropanoic acid, 3-phosphono-: ACTIVE
Anwendungen
Verwenden3-Phosphonopropionic acid was used to functionalize the bulk phosphate glass surface.
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