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HCID 6347Erstellt: 26. Oktober 2026

Isocyanic acid

HNCO · Hydrogen isocyanate · Polyisocyanates · 75-13-8 ISOCYANIC ACID · HN=C=O · IL 1451 BA · IL 1351 BA · Isocyanato

https://huagongshe.com/de/chemical/6347

Molekülstruktur von Isocyanic acid

Identifikatoren & physikalische Daten

CAS No.75-13-8
SummenformelCHNO
Durchschnittliche Molmasse43,025 g/mol
Monoisotopische Masse43,00581365 g/mol
SMILESN=C=O
InChIKeyOWIKHYCFFJSOEH-UHFFFAOYSA-N
PubChem CID6347
ChEBICHEBI:29202
EC No.616-189-3
DTXSIDDTXSID9073884

Chemische & physikalische Eigenschaften

XLogP1
Polarare Oberfläche (TPSA)40,9
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome3
Formalladung0
Komplexität27,8
SpringerMaterials PropertiesCoriolis coupling
Dampfdruck996 [mm Hg] @25 °C
Schmelzpunkt-86 °C
Siedepunkt41.91°C (rough estimate)
Dichte1.04±0.1 g/cm3(Predicted)
Brechungsindex1.4300 (estimate)
pH3.35(1 mM solution)2.76(10 mM solution)2.23(100 mM solution)
Spezifische WärmekapazitätCp(gas): 1.04 J/(g·K), at 25℃
Henry-Konstante2.0×10-1 mol/(m3Pa) at 25℃, Roberts and Liu (2019)
InChIInChI=1S/CHNO/c2-1-3/h2H
InChIKeyOWIKHYCFFJSOEH-UHFFFAOYSA-N
SMILESN=C=O
EPA chemische InformationenIsocyanic acid (75-13-8)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Protective Action Criteria (PAC)2.0 [ppm]7.1 [ppm]15 [ppm]
TreatmentAntidotes 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)
Gesundheitliche AuswirkungenExposure 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)
ExpositionspfadeInhalation (L96)oral (L96)dermal (L96)
ToxizitätsübersichtCyanide 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)
Signs and SymptomsCyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
AlarmwortAchtung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302