Nitroglycerin

Athanor · official

C₃H₅N₃O₉ · 227.09 g/mol

IUPAC name: 1,3-dinitrooxypropan-2-yl nitrate

Also called glyceryl trinitrate, GTN, Nitrostat, dynamite

Drugs

Open in Athanor

Drawn from its SMILES with RDKit

Danger(Deleted) Unstable Explosive · Fatal if swallowed · Fatal in contact with skin · Fatal if inhaled · Toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: 1,3-dinitrooxypropan-2-yl nitrate
Synonyms: glyceryl trinitrate, GTN, Nitrostat
+ 38 more
dynamite, Glyceryl trinitrate, Trinitroglycerin, Nitroglycerine, Nitroglycerol, Glycerol trinitrate, Trinitroglycerol, Nitro-dur, Minitran, Trinitrin, Nitronet, Tridil, Nitroglyn, Nitrolingual, Nitrong, Niong, Nitora, Transderm-nitro, Nitro-Bid, Lenitral, Natispray, Nitrocine, Nitrolan, NitroMist, Glycerin trinitrate, Nitroglicerina, Angiolingual, Cardamist, Klavikordal, Myoglycerin, Niglycon, Nitrodisc, Nitrogard, Nitrolowe, Nitromel, Nitronal, Nitrorectal, Percutol
Molecular formula: C₃H₅N₃O₉
Empirical formula: C₃H₅N₃O₉
Molecular weight: 227.09 g/mol
Exact mass: 227.00258
CAS number: 55-63-0
PubChem CID: 4510
Canonical SMILES: C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
Isomeric SMILES: C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
InChI: InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
InChIKey: SNIOPGDIGTZGOP-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Colorless to pale-yellow, viscous liquid or solid (below 56 degrees F) Note: An explosive ingredient in dynamite (20-40%) with ethylene glycol dinitrate (80-60%).[6]
11 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Glyceryl trinitrate solution appears as a colorless solution of glyceryl trinitrate (nitroglycerin) in water. If allowed to dry out, the remaining nitroglycerin is explosive. [1] CAMEO Chemicals
– Nitroglycerin, desensitized, [liquid] appears as a pale yellow, viscous liquid that is slightly soluble in water and more dense than water. Sensitive to shock and heat. May explode under prolonged exposure to fire or heat. Primary hazard is the blast of an instantaneous explosion and not flying fragment or projectiles. Used medicinally. [1] CAMEO Chemicals
– Nitroglycerin, solution in alcohol, with more than 1% but not more than 5% nitroglycerin appears as a dilute solution in ethanol. If the ethanol evaporates the nitroglycerine will become shock sensitive. May then detonate if shocked or heated. [1] CAMEO Chemicals
– Nitroglycerin, solution in alcohol, with not more than 1% nitroglycerin appears as a flammable, colorless solution of nitroglycerin in alcohol. If allowed to dry out, the remaining nitroglycerin is explosive. [1] CAMEO Chemicals
– Spirits of nitroglycerin, [1 to 10%] appears as a mixture of nitroglycerin and ethanol. If ethanol evaporates the nitroglycerin becomes shock sensitive and may detonate by friction or impact. [1] CAMEO Chemicals
– Liquid; Dry Powder [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS-TO-YELLOW VISCOUS LIQUID OR PALE YELLOW CRYSTALS. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– A colorless solution of glyceryl trinitrate (nitroglycerin) in water. [4] Occupational Safety and Health Administration (OSHA)
– Colorless to pale-yellow, viscous liquid or solid (below 56 °F). [Note: An explosive ingredient in dynamite (20-40%) with ethylene glycol dinitrate (80-60%).] [5] The National Institute for Occupational Safety and Health (NIOSH)
– VISCOUS LIQUID [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 797
–shown Colorless to pale-yellow, viscous liquid or solid (below 56 degrees F) Note: An explosive ingredient in dynamite (20-40%) with ethylene glycol dinitrate (80-60%). [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases. U.S. Department of Health & Human Services, Public Health Service, Center for Disease Control & Prevention. DHHS (NIOSH) Publication No. 2001-145 (CD-ROM) August 2001.
Melting point: 13.5 °C[3]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
13 °C 56 °F (NIOSH, 2024) [1] CAMEO Chemicals
13.5 °Cshown 13.5 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
13 °C 56 °F [4] Occupational Safety and Health Administration (OSHA)
13.5 °C 13.5 °C [7] PAC Chemical Database, U.S. Department of Energy
13 °C 56 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: Reported, but no value passed the checks.
The 4 values and why
Begins to decompose at 122-140 °F (NIOSH, 2024) (could not be read; source [1])
at 2kPa: 160 °C (could not be read; source [3])
Begins to decompose at 122-140 °F (could not be read; source [4])
Begins to decompose at 122-140 °F (could not be read; source [5])
Density: 1.5931 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 1.6 (NIOSH, 2024) - Denser than water [1] CAMEO Chemicals
– Relative density (water = 1): 1.6 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.6 [4] Occupational Safety and Health Administration (OSHA)
–shown 1.5931 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 1.60 [5] The National Institute for Occupational Safety and Health (NIOSH)
12 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Solubility in water: Solubility in water: poor[3]
4 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– 0.1 % (NIOSH, 2024) [1] CAMEO Chemicals
– For more Solubility (Complete) data for NITROGLYCERIN (6 total), please visit the HSDB record page. [6] Hazardous Substances Data Bank (HSDB)
–shown Solubility in water: poor [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.1% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: 1.62[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = 1.62 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 6
–shown 1.62 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: Vapor pressure, Pa at 20 °C: 0.03[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
0.0002 mmHg 2.0X10-4 mm Hg @ 20 °C [6] Hazardous Substances Data Bank (HSDB)cites Kemp MD et al; J Phys Chem 61: 240-42 (1957)
0.00023 mmHgshown Vapor pressure, Pa at 20 °C: 0.03 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
3 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Flash point: 270 °C (518 °F, NFPA 2010)[1]
Autoignition temperature: 270 °C (518 °F)[6]
Viscosity: 36.0 centipoise @ 20 °C[6]

Value	As written	Source
–	Glyceryl trinitrate solution appears as a colorless solution of glyceryl trinitrate (nitroglycerin) in water. If allowed to dry out, the remaining nitroglycerin is explosive.	[1] CAMEO Chemicals
–	Nitroglycerin, desensitized, [liquid] appears as a pale yellow, viscous liquid that is slightly soluble in water and more dense than water. Sensitive to shock and heat. May explode under prolonged exposure to fire or heat. Primary hazard is the blast of an instantaneous explosion and not flying fragment or projectiles. Used medicinally.	[1] CAMEO Chemicals
–	Nitroglycerin, solution in alcohol, with more than 1% but not more than 5% nitroglycerin appears as a dilute solution in ethanol. If the ethanol evaporates the nitroglycerine will become shock sensitive. May then detonate if shocked or heated.	[1] CAMEO Chemicals
–	Nitroglycerin, solution in alcohol, with not more than 1% nitroglycerin appears as a flammable, colorless solution of nitroglycerin in alcohol. If allowed to dry out, the remaining nitroglycerin is explosive.	[1] CAMEO Chemicals
–	Spirits of nitroglycerin, [1 to 10%] appears as a mixture of nitroglycerin and ethanol. If ethanol evaporates the nitroglycerin becomes shock sensitive and may detonate by friction or impact.	[1] CAMEO Chemicals
–	Liquid; Dry Powder	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS-TO-YELLOW VISCOUS LIQUID OR PALE YELLOW CRYSTALS.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	A colorless solution of glyceryl trinitrate (nitroglycerin) in water.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless to pale-yellow, viscous liquid or solid (below 56 °F). [Note: An explosive ingredient in dynamite (20-40%) with ethylene glycol dinitrate (80-60%).]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–	VISCOUS LIQUID	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 797
–shown	Colorless to pale-yellow, viscous liquid or solid (below 56 degrees F) Note: An explosive ingredient in dynamite (20-40%) with ethylene glycol dinitrate (80-60%).	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases. U.S. Department of Health & Human Services, Public Health Service, Center for Disease Control & Prevention. DHHS (NIOSH) Publication No. 2001-145 (CD-ROM) August 2001.

Value	As written	Source
13 °C	56 °F (NIOSH, 2024)	[1] CAMEO Chemicals
13.5 °Cshown	13.5 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
13 °C	56 °F	[4] Occupational Safety and Health Administration (OSHA)
13.5 °C	13.5 °C	[7] PAC Chemical Database, U.S. Department of Energy
13 °C	56 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	1.6 (NIOSH, 2024) - Denser than water	[1] CAMEO Chemicals
–	Relative density (water = 1): 1.6	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.6	[4] Occupational Safety and Health Administration (OSHA)
–shown	1.5931 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	1.60	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.1 % (NIOSH, 2024)	[1] CAMEO Chemicals
–	For more Solubility (Complete) data for NITROGLYCERIN (6 total), please visit the HSDB record page.	[6] Hazardous Substances Data Bank (HSDB)
–shown	Solubility in water: poor	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.1%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 1.62	[6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 6
–shown	1.62	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
0.0002 mmHg	2.0X10-4 mm Hg @ 20 °C	[6] Hazardous Substances Data Bank (HSDB)cites Kemp MD et al; J Phys Chem 61: 240-42 (1957)
0.00023 mmHgshown	Vapor pressure, Pa at 20 °C: 0.03	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 15
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 0
H-bond acceptors: 9
Rotatable bonds: 8 computed here · PubChem 5
TPSA (Å²): 157.1 computed here · PubChem 165
Formal charge: 0
XLogP3: 1.6 PubChem
Complexity: 218 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C15.87%
H2.22%
N18.50%
O63.41%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -1.02 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.08 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.38 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 227.08
log P ≤ 5 (Crippen): -1.02
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 9

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [8].

Explosive
Acute toxicity
Health hazard
Environmental hazard

NFPA 704[6]

H200(Deleted) Unstable Explosive
H300Fatal if swallowed
H310Fatal in contact with skin
H330Fatal if inhaled
H411Toxic to aquatic life with long lasting effects

Precautionary statements: 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, P501

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH200, H300, H310, H330, H411
[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH201, H300, H310, H330, H411
[9] European Chemicals Agency (ECHA) · 93 reports · DangerH200, H300+H310+H330, H300, H310, H330, H373, H411

Exposure limits

PEL-C (Ceiling): 0.2 ppm (2 mg/m³)[4]
PEL: C 0.2 ppm (2 mg/m3) [skin] See Appendix G[5]
REL-STEL (Short Term Exposure Limit): 0.1 mg/m³[4]
REL: ST 0.1 mg/m3 [skin][5]
TLV: 0.05 ppm as TWA; (skin).[3]
TLV-TWA (Time Weighted Average): 0.05 ppm [1980][4]

First aid

Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]: Refer to the "General First Aid" section. (ERG, 2024)[1]
Excerpt from NIOSH Pocket Guide for Nitroglycerine: Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: SOAP WASH immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water.[1]
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)[1]
Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]: Refer to the "General First Aid" section. (ERG, 2024)[1]

Storage

Store only if stabilized. Store in an area without drain or sewer access. Fireproof. Well closed. Separated from food and feedstuffs.[3]
Nitroglycerin injections are practically colorless and stable in their intact containers. The solutions are not explosive. Storage should be at room temperature; the containers should be protected from freezing. Exposure to light, even high intensity light, does not adversely affect nitroglycerin stability. (nitroglycerin injections)[6]
Store at room temp not above 25 °C (77 °F). Do not refrigerate. (nitroglycerin trans dermal systems)[6]

Incompatibilities

Heat, ozone, shock acids.[6]
Ozone and nitroglycerin explode on mixing.[6]
Heat, ozone, shock, acids [Note: An OSHA Class A Explosive (1910.109).][5]

Safety data sheets on the supplier’s page: Sigma-Aldrich, Angene Chemical, Clearsynth.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[11]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[12]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.