2-Ethyl-2-nitropropan-1,3-diol

2-Ethyl-2-nitro-1,3-propanediol

HCID 11696CAS 597-09-1

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

2-ETHYL-2-NITRO-1,3-PROPANEDIOL597-09-12-Nitro-2-ethyl-1,3-propanediol1,3-Propanediol, 2-ethyl-2-nitro-2-Ethyl-2-nitropropanediolDTXSID7041417NSC 2024EINECS 209-893-3UNII-5243OT5I3LBRN 1705448AI3-022575243OT5I3L
Weitere Namen anzeigen
NEPDAURORA KA-5722-ethyl-2-nitro-3-propanediol2-ethyl-2-nitropropan-1,3-diol2-ethyl-2-nitropropane-1,3-diol
NSC-2024DTXCID50214174-01-00-02550 (Beilstein Handbook Reference)ETHYL-2-NITRO-1,3-PROPANEDIOL, 2-2Ethyl2nitropropanediolRefChem:868762Ethyl2nitropropane1,3diol2Nitro2ethyl1,3propanediol

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

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.0000865 [mmHg]
Physical Description · 2 Einträge

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 · 3 Einträge

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 · 2 Einträge

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

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Trimethylolethane trinitrate. See 2-Hydroxymethyl-2-nitro-1,3-propanediol.
Hazard Classes and CategoriesNot Classified

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

U.S. Production2023: 210,296 lb;2022: 285,812 lb;2021: 60,438 lb
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

1,3-Propanediol, 2-ethyl-2-nitro-: ACTIVE

Anwendungen

VerwendenOrganic synthesis.

Anbieter3 Anbieter

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

Zugehörige Reaktionen

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