Basic information
- CAS
111-22-8- Standard SMILES
O=[N+]([O-])OCCOCCOCCO[N+](=O)[O-]- InChIKey
AGCQZYRSTIRJFM-UHFFFAOYSA-N- Molecular formula
- C6H12N2O8
- Average molar mass
- 240.17 g/mol
- Monoisotopic mass
- 240.05936534
Overview
structure
Names & identifiers
- Preferred name
- Triethylene glycol, dinitrate
- IUPAC
- 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate
- English name
- 2,2'-[ethane-1,2-diylbis(oxy)]bisethyl dinitrate
- Molecular formula
- C6H12N2O8
- Molecular weight
- 240.17
Names & synonyms
Triethylene glycol dinitrateTEGDN111-22-8TRIETHYLENE GLYCOL, DINITRATE6X99UD6JTADTXSID00515722,2'-(1,2-Ethanediylbis(oxy))bisethanol, dinitrateRefChem:191529DTXCID4030124203-847-62-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate2,2'-[Ethane-1,2-diylbis(oxy)]bisethyl dinitrate
Show more names
Triethyleneglycol Dinitrate ( Tegdn )2,2'-(Ethylenebisoxy)bis(ethanol)dinitrate2,2'-[(1,2-Ethanediyl)bis(oxy)]bisethanol dinitrateEthanol, 2,2'-[(1,2-ethanediyl)bis(oxy)]bis-, 1,1'-dinitrate
Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dinitrateEthanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, dinitrate2,2'-(Ethane-1,2-diylbis(oxy))bisethyl dinitrateEthanol, 2,2'-((1,2-ethanediyl)bis(oxy))bis-, 1,1'-dinitrateEINECS 203-847-6BRN 17140961,2-bis-(2-nitryloxy-ethoxy)-ethaneUNII-6X99UD6JTA
Database identifiers
- CAS
111-22-8- PubChem CID
- 8099
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 382.88 °C · 382.88°C (rough estimate)
- Density
- 1.6172 · 1.6172 (rough estimate)
- refractive index
- 1.4431 · 1.4431 (estimate)
- FDA UNII
- 6 X99UD6JTA · 6X99UD6JTA
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dinitrate (111-22-8)
- RIDADR
- 473 · 0473
- TSCA
- TSCA listed
- HazardClass
- 1.1 A · 1.1A
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1000 mg/kg AIHAAP 34,526,73
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, dinitrate
Safety data
- tsca
- TSCA listed
- ridadr
- 0473
- Toxicity
- LD50 orl-rat: 1000 mg/kg AIHAAP 34,526,73
- hazard_class
- 1.1A
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2,2'-[(1,2-ethanediyl)bis(oxy)]bis-, 1,1'-dinitrate: ACTIVE
Upstream & downstream products
Downstream products
Suppliers3 total
Alfa Chemistry+1-5166625404 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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