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Names | |
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Preferred IUPAC name
Propane-1,2,3-triyl trinitrate |
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Other names
1,2,3-Tris(nitrooxy)propane
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Identifiers | |
CAS Number
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3D model (JSmol)
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Beilstein Reference
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1802063 |
ChEBI |
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ChEMBL |
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ChemSpider |
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DrugBank |
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ECHA InfoCard | 100.000.219 |
EC Number | 200-240-8 |
Gmelin Reference
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165859 |
IUPHAR/BPS
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KEGG |
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MeSH | Nitroglycerin |
PubChem CID
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UNII |
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UN number | 0143, 0144, 1204, 3064, 3319 |
InChI
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SMILES
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Properties | |
Chemical formula
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C3H5N3O9 |
Molar mass | 227.09 g·mol−1 |
Appearance | Colorless liquid |
Density | 1.6 g cm−3 (at 15 °C) |
Melting point | 14 °C (57 °F; 287 K) |
Boiling point | 50 °C (122 °F; 323 K) explodes |
Solubility in water
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slightly |
Solubility | acetone, ether, benzene, alcohol |
log P | 2.154 |
Structure | |
Coordination geometry
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Tetragonal at C1, C2, and C3 Trigonal planar at N7, N8, and N9 |
Molecular shape
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Tetrahedral at C1, C2, and C3 Dihedral at N7, N8, and N9 |
Explosive data | |
Shock sensitivity | High |
Friction sensitivity | High |
Detonation velocity | 7700 m s−1 |
RE factor | 1.50 |
Thermochemistry | |
Std enthalpy of
formation (ΔfH |
−370 kJ mol−1 |
Std enthalpy of
combustion (ΔcH |
−1.529 MJ mol−1 |
Pharmacology | |
ATC code
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C01DA02 (WHO) C05AE01 (WHO) |
Pregnancy
category |
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Routes of
administration |
Intravenous, by mouth, under the tongue, topical |
Pharmacokinetics: | |
Bioavailability
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<1% |
Metabolism
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Liver |
Biological half-life
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3 min |
Legal status |
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Hazards | |
Main hazards | Explosive, toxic |
GHS pictograms |
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GHS signal word | Danger |
GHS hazard statements
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H202, H205, H241, H301, H311, H331, H370 |
GHS precautionary statements
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P210, P243, P250, P260, P264, P270, P271, P280, P302+352, P410 |
NFPA 704 |
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2
3
4
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US health exposure limits (NIOSH): | |
PEL (Permissible)
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C 0.2 ppm (2 mg/m3) [skin] |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). |
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Infobox references | |