Isocyanic acid

HCID 6347CAS 75-13-8

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

Isocyanic acid75-13-8Hydrogen isocyanateHNCOisozyansaeureoxidoazanediidocarbonHN=C=OCHEBI:29202Isocyanic acid (hnco)QKG6U31925[C(NH)O]DTXSID9073884
Weitere Namen anzeigen
Polyisocyanates75-13-8 ISOCYANIC ACIDIL 1451 BAIL 1351 BAIsocyanatoCarbonimideIsocyanicaci
(C(NH)O)carboximidoyloxidaneRefChem:791715DTXCID1047732616-189-3isocyansaeureCHNOimino-ketone

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCoriolis coupling
Vapor Pressure996 [mm Hg] @25 °C

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℃

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

2.0 [ppm]

7.1 [ppm]

15 [ppm]

Toxikologische Informationen

Treatment · 1 Eintrag

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 · 1 Eintrag

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)

Exposure RoutesInhalation (L96) ; oral (L96) ; dermal (L96)
Toxicity Summary · 1 Eintrag

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)

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).

Sicherheitsdaten

Alarmwort
Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

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)

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
济南新晨化工有限公司15318808971 15318808971
Ergänzende Hinweise · 1 Eintrag

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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