Potassium nitrite

CAS 7758-09-0  ·  KNO₂  ·  MW 85.104 g/mol

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3D model Potassium nitrite, CAS 7758-09-0, molecular formula KNO₂, molar mass 85.104 g/mol
About Potassium nitrite

Potassium nitrite is a chemical compound registered under number CAS 7758-09-0, with the molecular formula KNO₂, and a molar mass of 85.104 g/mol.

The molecule contains 4 atoms connected by 3 chemical bonds. The full systematic IUPAC name of this compound is potassium nitrite. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 52.5 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaKNO₂
Molar mass85.104 g/mol
IUPACpotassium nitrite
SMILESN(=O)[O-].[K+]
InChIKeyBXNHTSHTPBPRFX-UHFFFAOYSA-M
logP (XLogP3)—
PSA52.5 Ų
HBD / HBA0 / 3
PubChem CIDCID 516910 ↗
GHS safety

Signal word: Danger

GHS03
GHS03
GHS06
GHS06
GHS09
GHS09

H272 — May intensify fire; oxidiser

H301 — Toxic if swallowed

H400 — Very toxic to aquatic life

Scientific literature

Related literature

5 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 5)

2004: number of articles 120042012: number of articles 220122017: number of articles 12017

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
POTASSIUM NITRITE · 7758-09-0 · Nitrous acid, potassium salt · Potassium nitrite (1:1) · 794654G42L · Nitrous acid potassium salt (1:1) · INS NO.249 · DTXCID3022320 · INS-249 · E-249 · RefChem:175535 · Nitrous acid potassium salt · 231-832-4 · potassium;nitrite · Caswell No. 698
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/516910
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Potassium nitrite (CAS 7758-09-0), KNO₂ - 3D ball-and-stick molecular model, engraved element symbols (K N O), MolGod STL previewDownload image

MG-STL-7758-09-0-ENGRAVED · 85,112 △ · 4 MB · SHA-256 d5cb5330c8f5ea44

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Potassium nitrite (CAS 7758-09-0), KNO₂ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-7758-09-0-NORMAL · 1,568 △ · 77 KB · SHA-256 5fc5846ec733b8f5

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Model
Potassium nitrite · 7758-09-0
InChIKey
BXNHTSHTPBPRFX-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Potassium nitrite (CAS 7758-09-0)
License & provenance record
Potassium nitrite (CAS 7758-09-0) →
MolGod molecule record
Potassium nitrite →
Source data
PubChem CID 516910 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
5fc5846ec733b8f5cbf6568ec9d666f68bc59f5346690a278c5b347d66b84ab0
MD5 (STL)
c715797aca709fb383839f309e8d79e2
Model identifier
MG-STL-7758-09-0
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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