Trimethylolethane trinitrate
Basic information
- CAS
3032-55-1- Standard SMILES
CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]- InChIKey
IPPYBNCEPZCLNI-UHFFFAOYSA-N- Molecular formula
- C5H9N3O9
- Average molar mass
- 255.14 g/mol
- Monoisotopic mass
- 255.03387887
Names & identifiers
- Preferred name
- Trimethylolethane trinitrate
- IUPAC
- [2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
- English name
- 2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
- Molecular formula
- C5H9N3O9
- Molecular weight
- 255.14
Names & synonyms
Trimethylolethane trinitrate3032-55-1Tris(hydroxymethyl)ethane trinitrateCCRIS 3788EINECS 221-214-2BRN 17148701,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate2-Methyl-2-nitro-oxymethyltrimethylene dinitrate1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate (ester)4-01-00-02781 (Beilstein Handbook Reference)DTXSID70519791,3-Propanediol, 2-methyl-2-((nitrooxy)methyl)-, 1,3-dinitrate
Show more names
TMETNMETRIOL TRINITRATEEthylidynetrimethanol trinitrate1,1,1-Trimethylolethane trinitrate2,2-Di(hydroxymethyl)-1-propanol trinitrate2-Methyl-2-hydroxymethyl-1,3-propanediol trinitrate2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl]nitrate
RXL 6241,1,1Trimethylolethane trinitrate1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate2Methyl2hydroxymethyl1,3propanediol trinitrate1,3-Propanediol, 2-methyl-2-((nitrooxy)methyl)-, dinitrate1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, 1,3-dinitrateRefChem:191792DTXCID4030542
Database identifiers
- CAS
3032-55-1- PubChem CID
- 76423
- DTXSID
DTXSID7051979- UNII
- HMJ3NEC9W7
- EC Number
- 221-214-2
- Nikkaji
- J56.085E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Explosives
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [OSHA] Colorless to light yellow oily liquid; [Copperhead Chemical MSDS]
Physicochemical properties
- Boiling point
- 398.36 °C · 398.36°C (rough estimate)
- Density
- 1.8189 · 1.8189 (rough estimate)
- refractive index
- 1.619 · 1.6190 (estimate)
- Henry's Law Constant
- 2.2 · 2.2×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 NEC9W7 · HMJ3NEC9W7
- EPA Substance Registry System
- Trimethylolethane trinitrate (3032-55-1)
- Symbol(GHS)
- 1 · GHS01,GHS08,GHS09,GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H200 (100%): (Deleted) Unstable Explosive [Danger Explosives]
P201, P202, P260, P262, P264, P270, P271, P273, P280, P281, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P372, P373, P380, P391, P401, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
Causes change in righting reflex, tremor, and muscle contractions in oral lethal-dose studies of mice; [RTECS] Powerful explosive; A vasodilator; Exposure by all routes may cause headache, nausea, and hypotension; Overexposure may cause fatigue, confusion, convulsions, methemoglobinemia, cyanosis, respiratory paralysis, bradycardia, circulatory collapse, or death; Readily absorbed by ingestion, inhalation, and skin contact; No evidence of skin sensitization in guinea pigs; [Copperhead Chemical MSDS] See Nitroglycerin.
Hazard Classes and CategoriesUnst. Expl. (100%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- tsca
- TSCA listed
- ridadr
- 0473
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
UsesAn explosive used as a propellant; [OSHA] High explosive similar to nitroglycerin; Used in solid propellants and as a plasticizer in smokeless powders; [REPROTOX]
General Manufacturing Information1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, 1,3-dinitrate: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…