Grundinformationen
- Standard-SMILES
CCC(CO)(CO)[N+](=O)[O-]- InChIKey
YADISKICBOYXFS-UHFFFAOYSA-N- Summenformel
- C5H11NO4
- Durchschnittliche Molmasse
- 149,15 g/mol
- Monoisotopische Masse
- 149,06880783
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethyl-2-nitro-1,3-propanediol
- IUPAC
- 2-ethyl-2-nitropropane-1,3-diol
- Lokaler Name
- 2-Ethyl-2-nitropropan-1,3-diol
- Englischer Name
- 2-Ethyl-2-nitro-1,3-propanediol
- Summenformel
- C5H11NO4
- Molmasse
- 149.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
597-09-1- PubChem CID
- 11696
- DTXSID
DTXSID7041417- ChEMBL
CHEMBL3185030- UNII
- 5243OT5I3L
- EC Number
- 209-893-3
- Nikkaji
- J95.069F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 86,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 115
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Solid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 · 55-56°C
- Siedepunkt
- 270.2 °C · 270.2°C (rough estimate)
- Dichte
- 1.3613 · 1.3613 (rough estimate)
- Brechungsindex
- 1.412 · 1.4120 (estimate)
- pka
- 12.83 · 12.83±0.10(Predicted)
- EPA chemische Informationen
- 2 · 2-Ethyl-2-nitro-1,3-propanediol (597-09-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 90.5% (38 of 42) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 38 of 42 companies (only 9.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 38 of 42 reports by companies.;There is 1 notification provided by 4 of 42 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
1,3-Propanediol, 2-ethyl-2-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-nitro- 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)
1,3-Propanediol, 2-ethyl-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information
1,3-Propanediol, 2-ethyl-2-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-nitro- 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)
1,3-Propanediol, 2-ethyl-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- tsca
- TSCA listed
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Propanediol, 2-ethyl-2-nitro-: ACTIVE
Anwendungen
VerwendenOrganic synthesis.
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