Sodium iodide

Athanor · official

INa · 149.8942 g/mol

Inorganic

Open in Athanor

Drawn from its SMILES with RDKit

DangerCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation · Causes damage to organs through prolonged or repeated exposure · Very toxic to aquatic life · Toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: sodium iodide
Synonyms: Sodium monoiodide, Ioduril, Soiodin
+ 35 more
Iodure de sodium, Natrii iodidum, Jodid sodny, Sodium iodide (NaI), Natriumjodid, DTXSID2041125, Iodide (as sodium iodide), NSC-77388, Fdy-5301, F5WR8N145C, DTXCID0021125, CHEBI:33167, Sodium Iodide 20%, RefChem:6238, 231-679-3, sodium;iodide, MFCD00003532, Sodium Iodide,99%, sodiumiodide, CHEMBL1644695, Sodium iodide, ultra dry, Jodid sodny [Czech], Caswell No. 777, Natriumjodid [German], HSDB 750, EINECS 231-679-3, NSC 77388, EPA Pesticide Chemical Code 075702, Sodium iodide [USP:JAN], UNII-F5WR8N145C, Anayodin; Ioduril; NSC 77388; Sodium Monoiodide; Soiodin;, sodium-iodide, iodeto de sodio, ioduro di sodio, yoduro de sodio
Molecular formula: INa
Empirical formula: INa
Molecular weight: 149.8942 g/mol
Exact mass: 149.89424
CAS number: 7681-82-5
PubChem CID: 5238
Canonical SMILES: [Na+].[I-]
Isomeric SMILES: [Na+].[I-]
InChI: InChI=1S/HI.Na/h1H;/q;+1/p-1
InChIKey: FVAUCKIRQBBSSJ-UHFFFAOYSA-M
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Liquid; CBI; Dry Powder; Wet Solid[1]
3 values
From EPA Chemical Data Reporting (CDR), the most authoritative source here.
Value As written Source
–shown Liquid; CBI; Dry Powder; Wet Solid [1] EPA Chemical Data Reporting (CDR)
– COLOURLESS-TO-WHITE HYGROSCOPIC CRYSTALS OR WHITE POWDER. TURNS BROWN ON EXPOSURE TO AIR. [2] ILO-WHO International Chemical Safety Cards (ICSCs)
– WHITE POWDER [3] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 793
Melting point: 660 °C[2]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
660 °Cshown 660 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs)
660 °C 660 °C [4] PAC Chemical Database, U.S. Department of Energy
Boiling point: 1304 °C[2]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
1304 °Cshown 1304 °C [2] ILO-WHO International Chemical Safety Cards (ICSCs)
1304 °C 1304 °C @760 [mm Hg] [4] PAC Chemical Database, U.S. Department of Energy
Density: 3.667 @25 °C[4]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– 3.67 g/cm³ [2] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown 3.667 @25 °C [4] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water, g/100ml at 25 °C: 184[2]
Vapor pressure: 1 MM HG @ 767 °C[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
1 mmHgshown 1 MM HG @ 767 °C [3] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975., p. 1112
1 mmHg 1 [mm Hg] @767 °C [4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–shown	Liquid; CBI; Dry Powder; Wet Solid	[1] EPA Chemical Data Reporting (CDR)
–	COLOURLESS-TO-WHITE HYGROSCOPIC CRYSTALS OR WHITE POWDER. TURNS BROWN ON EXPOSURE TO AIR.	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–	WHITE POWDER	[3] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 793

Value	As written	Source
660 °Cshown	660 °C	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
660 °C	660 °C	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
1304 °Cshown	1304 °C	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
1304 °C	1304 °C @760 [mm Hg]	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	3.67 g/cm³	[2] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	3.667 @25 °C	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
1 mmHgshown	1 MM HG @ 767 °C	[3] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 4th ed. New York: Van Nostrand Reinhold, 1975., p. 1112
1 mmHg	1 [mm Hg] @767 °C	[4] PAC Chemical Database, U.S. Department of Energy

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: 2
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 0 computed here · PubChem 1
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
Complexity: 2 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Kh of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

I84.66%
Na15.34%

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: -5.99 Crippen (Wildman and Crippen 1999)
log S (water solubility): 3.01 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 8.49 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 149.89
log P ≤ 5 (Crippen): -5.99
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

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

Safety

Danger

Most widely reported: 495 company reports to ECHA. Source [5].

Harmful or irritant
Health hazard
Environmental hazard

H315Causes skin irritation (70.9% of reports)
H319Causes serious eye irritation (72.7% of reports)
H335May cause respiratory irritation (16.8% of reports)
H372Causes damage to organs through prolonged or repeated exposure (42.8% of reports)
H400Very toxic to aquatic life (61.8% of reports)
H411Toxic to aquatic life with long lasting effects (10.1% of reports)

Precautionary statements: P260, P261, P264, P264+P265, P270, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

View all classifications (2)

[5] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 7.9% (39 of 495) of reports.
[5] European Chemicals Agency (ECHA) · 495 reports · DangerH315, H319, H335, H372, H400, H411

Exposure limits

TLV: 0.01 ppm as TWA; A4 (not classifiable as a human carcinogen).[2]
MAK (Maximale Arbeitsplatz Konzentration): Skin absorption (H)[2]

First aid

Fresh air, rest.[2]
Remove contaminated clothes. Rinse skin with plenty of water or shower.[2]
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.[2]
Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .[2]

Storage

Separated from strong oxidants and food and feedstuffs. Dry. Well closed.[2]

Safety data sheets on the supplier’s page: AKos Consulting & Solutions, AEZ Kimya, TargetMol.

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

Spectra

ATR-IRSpectraBase

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]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[2]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[4]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[6]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.