Nitroglycerin
A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain. — ChEBI
Safety documents & references
2 indexed referencesFind a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 55-63-0 | ChEBI ↗ |
| Molecular formula | C3H5N3O9 | ChEBI ↗ |
| Molar mass | 227.085 g/mol | ChEBI ↗ |
| Monoisotopic mass | 227.00258 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:28787 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 227.09 g/mol | PubChem ↗ |
| Exact mass | 227.00257875 Da | PubChem ↗ |
| Computed XLogP | 1.6 | PubChem ↗ |
| Topological polar surface area (Ų) | 165 | PubChem ↗ |
| H-bond donors | 0 | PubChem ↗ |
| H-bond acceptors | 9 | PubChem ↗ |
| Rotatable bonds | 5 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifiernitroglycerin1,2,3-trinitrooxypropaneSNIOPGDIGTZGOP-UHFFFAOYSA-NO=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese governmentNitroglycerin · 24B6512
| Endpoint | Reported classification |
|---|---|
| Explosives | Unstable Explosive |
| Acute toxicity （Oral） | Category 4 |
| Skin sensitization | Category 1 |
| Reproductive toxicity | Category 2, Additional category: Effects on or via lactation |
| Specific target organ toxicity - Single exposure | Category 1 (cardiovascular system, blood, nervous system) |
| Specific target organ toxicity - Repeated exposure | Category 1 (cardiovascular system) |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 227.085 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsONCHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.