Grundinformationen
- Standard-SMILES
N=C=O- InChIKey
OWIKHYCFFJSOEH-UHFFFAOYSA-N- Summenformel
- CHNO
- Durchschnittliche Molmasse
- 43,025 g/mol
- Monoisotopische Masse
- 43,00581365
Überblick
Isocyanic acid is a colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology. It is a hydracid and a one-carbon compound. It is a conjugate acid of a cyanate. It is a tautomer of a cyanic acid.
Namen und Bezeichner
- Bevorzugter Name
- Isocyanic acid
- IUPAC
- isocyanic acid
- Englischer Name
- Isocyanic acid
- Summenformel
- CHNO
- Molmasse
- 43.02
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
75-13-8- PubChem CID
- 6347
- DTXSID
DTXSID9073884- ChEBI
CHEBI:29202- UNII
- QKG6U31925
- EC Number
- 616-189-3
- Nikkaji
- J9.226F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 40,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 3
- Formalladung
- 0
- Komplexität
- 27,8
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -86 °C · -86 °C
- Siedepunkt
- 41.91 °C · 41.91°C (rough estimate)
- Dichte
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- Brechungsindex
- 1.43 · 1.4300 (estimate)
- PH
- 3.35 · 3.35(1 mM solution);2.76(10 mM solution);2.23(100 mM solution)
- Spezifische Wärmekapazität
- 1.04 J/ · Cp(gas): 1.04 J/(g·K), at 25℃
- Henry's Law Constant
- 2 · 2.0×10-1 mol/(m3Pa) at 25℃, Roberts and Liu (2019)
- InChI
- InChI=1S/CHNO/c2-1-3/h2H
- InChIKey
- OWIKHYCFFJSOEH-UHFFFAOYSA-N
- SMILES
- N=C=O
- EPA chemische Informationen
- Isocyanic acid (75-13-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
2.0 [ppm]
7.1 [ppm]
15 [ppm]
Toxikologische Informationen
Treatment
Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)
Health Effects
Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
Toxicity Summary
Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Cyanide is rapidly alsorbed through oral, inhalation, and dermal routes and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)
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Ergänzende Hinweise
DefinitionChEBI: A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.
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