Carbonylsulfid

Carbonyl Sulfide

HCID 10039CAS 463-58-1

Grundinformationen

Standard-SMILES
O=C=S
InChIKey
JJWKPURADFRFRB-UHFFFAOYSA-N
Summenformel
COS
Durchschnittliche Molmasse
60,08 g/mol
Monoisotopische Masse
59,96698562

Überblick

Carbonyl sulfide is a colorless, poisonous, flammable gas with a distinct sulfide odor. The gas is toxic and narcotic in low concentrations and presents a moderate fire hazard. Under prolonged exposure to fire or intense heat the container may rupture violently or rocket. It is used in the synthesis of organic thio compounds.

Namen und Bezeichner

Bevorzugter Name
Carbonyl Sulfide
IUPAC
sulfanylidenemethanone
Lokaler Name
Carbonylsulfid
Englischer Name
Carbonyl sulfide
Summenformel
COS
Molmasse
60.07

Namen und Synonyme

CARBONYL SULFIDECarbon oxysulfide463-58-1Carbonyl sulphideCarbon oxide sulfideOxycarbon sulfideCarbon monoxide monosulfideCarbon oxide sulfide (COS)DTXSID6023949871UI0ET21CHEBI:16573RefChem:123642
Weitere Namen anzeigen
COSthioforminOxothioxocarbonoxycarbonsulfideThioxo-methanoneOxomethanethione
DTXCID903949carbonyl sulfide;oxidosulfidocarbon207-340-0thioxomethanonecarbonylsulfideoxidosulfidocarbonC(O)SO=C=S

Datenbank-Bezeichner

CAS
463-58-1
PubChem CID
10039
DTXSID
DTXSID6023949
ChEBI
CHEBI:16573
UNII
871UI0ET21
EC Number
207-340-0
Nikkaji
J2.591G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
49,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
3

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 3 Einträge

Hazardous Air Pollutants (HAPs)

Toxic Gases & Vapors -> Other Toxic Gases & Vapors

Flammable agents - 4th degree

SpringerMaterials PropertiesDunham energy parameter
PesticidesPesticide -> EPA IRIS
Odor · 2 Einträge

Odorless when very pure

Typical sulfide odor except when pure

Density · 3 Einträge

2.456 g/L

Liquid density (174 K): 1.274 g/cu cm. Vapor density (25 °C, 1 atm): 2.849 g/L

2.456 @25 °C

Color/FormColorless gas

Physikochemische Eigenschaften

Schmelzpunkt
138 °C · −138 °C(lit.)
Siedepunkt
50 °C · −50 °C(lit.)
Dichte
1.274 · 1.274; 2.4849
Dampfdichte
2.1 · 2.1 (20 °C, vs air)
Dampfdruck
9034 mm · 9034 mm Hg ( 21 °C)
Brechungsindex
1.3785 · n 1.3785

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H220 (100%): Extremely flammable gas [Danger Flammable gases]

P203, P210, P222, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P377, P381, P403, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 196 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H220: Extremely flammable gas [Danger Flammable gases]

Gefahrenhinweise

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)
Regulatory Information · 5 Einträge

Chemical: Carbon oxide sulfide, (COS)

Hazard Traits - Neurotoxicity; Ocular Toxicity

Carbon oxide sulfide (COS) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbon oxide sulfide (COS) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Carbon oxide sulphide (carbonyl sulphide): HSNO Approval: HSR001057 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison Gas Flammable Gas
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 119 [Gases - Toxic - Flammable]:

· Flammable; may be ignited by heat, sparks or flames.

Fire PotentialA very dangerous fire hazard and moderate explosive hazard when exposed to heat or flame.
Health Hazards · 2 Einträge

Excerpt from ERG Guide 119 [Gases - Toxic - Flammable]:

· TOXIC; may be fatal if inhaled or absorbed through skin. Some may cause severe skin burns and eye damage.

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 119 [Gases - Toxic - Flammable]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 119 [Gases - Toxic - Flammable]:

General First Aid:

Firefighting HazardsUnder prolonged exposure to fire or intense heat the container may rupture violently or rocket.
Exposure Control and Personal Protection · 2 Einträge

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Fire Fighting Procedures · 5 Einträge

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

Use water spray to cool unopened containers.

Do not extinguish a leaking gas fire unless leak can be stopped. Small fire: Dry chemical, CO2, water spray or alcohol-resistant foam. Large fireE: Water spray, fog or alcohol-resistant foam. For chlorosilanes, do not use waterR; use AFFF alcohol-resistant medium-expansion foam. Move containers from fire area if you can do it without risk. Damaged cylinders should be handled only by specialists. Fire involving tanks: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Do not direct water at source of leak or safety devices; icing may occur. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. Always stay away from tanks engulfed in fire.

For more Fire Fighting Procedures (Complete) data for Carbonyl sulfide (6 total), please visit the HSDB record page.

Toxikologische Informationen

Body Burden · 1 Eintrag

Carbonyl sulfide was qualitatively detected in 1 of 8 samples of mother's milk obtained from residents of urban centers in PA, NJ, and LA(1). Carbonyl sulfide was found in 1 of 8 personal air samples of subjects monitored in Bayonne and Elizabeth, NJ(2).

Interactions · 3 Einträge

Carbonyl sulfide (COS) is acutely toxic to rats, with an LD50 of 22.5 mg/kg, ip. COS is partly metabolized in vivo to hydrogen sulfide. Pretreatment of rats with acetazolamide, reduced the blood levels of hydrogen sulfide and decreased the toxicity of COS. Sodium nitrite pretreatment also protected animals against COS toxicity. Acetazolamide had no effect on hydrogen sulfide toxicity per se.

Pre-exposure to acetazolamide (a carbonic anhydrase inhibitor) resulted in a decrease in mortality in rats exposed via intraperitoneal injection to a lethal dose of carbonyl sulfide ... There is also in vitro evidence that carbonyl sulfide is metabolized by the mixed-function oxidase enzyme system to carbon dioxide ... However, the metabolism was not inhibited by the cytochrome P-450 monooxygenase inhibitors (SKF 525-A, 4-methylpyrazole, metyrapone) or substrate (carbon disulfide).

... In microsomes, (CS2) metabolism was increased by phenobarbital pretreatment of the rats and decreased with pretreatment of the rats with cobaltous chloride. In both microsomes and hepatocytes, CS2 metabolism was inhibited by SKF-525A. Carbon dioxide (CO2) was the major volatile metabolite of CS2 in hepatocytes, and carbonyl sulfide (COS) was the major volatile metabolite in microsomal incubations. Addition of cytosol to microsomal incubations shifted the predominant volatile metabolite from COS to CO2 but did not change total volatile metabolite formation. Acetazolamide, a carbonic anhydrase inhibitor, significantly decreased COS metabolism but not CS2 metabolism in isolated hepatocytes or microsomes fortified with dialyzed cytosol. When [(18)O]H2O was included in incubations of microsomes and CS2, a substantial portion of the resulting COS was [(18)O] enriched.

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that carbonyl sulfide is expected to have very high mobility in soil(SRC). Volatilization of carbonyl sulfide from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.61 atm-cu m/mole(SRC), based upon its vapor pressure, 9.41X10+3 mm Hg(3), and water solubility, 1.22X10+3 mg/L(4). Carbonyl sulfide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Biodegradation data in soil were not available(SRC, 2017).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that carbonyl sulfide is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.61 atm-cu m/mole(SRC), derived from its vapor pressure, 9.41X10+3 mm Hg(4), and water solubility, 1.22X10+3 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hrs and 3 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of -1.33(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC, 2017).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), carbonyl sulfide, which has a vapor pressure of 9.41X10+3 mm Hg at 25 °C(2), is expected to exist solely as a gas in the ambient atmosphere. Gas-phase carbonyl sulfide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 22 years(SRC), calculated from its rate constant of 2.0X10-15 cu cm/molecule-sec at 25 °C(3). Carbonyl sulfide did not absorb UV light at environmental wavelengths >290nm and, therefore, photolysis in the troposphere is negligible(4).

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Milk ConcentrationsCarbonyl sulfide was qualitatively detected in 1 of 8 samples of mother's milk obtained from residents of urban centers in PA, NJ, and LA(1).
Toxicity Summary · 1 Eintrag

IDENTIFICATION AND USE: Carbonyl sulfide is a colorless gas. It is used as grain fumigant, and for small-scale synthesis and experiments. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: Carbonyl sulfide is an odorless gas that produces highly reproducible lesions in the central nervous system. Carbonyl sulfide produced cortical and brainstem lesions and altered auditory neurophysiological responses to click stimuli in rats. In rats exposed to 500 or 600 ppm for up to 4 days, malacia and microgliosis were detected in numerous neuroanatomical regions of the brain by conventional optical microscopy and magnetic resonance microscopy. After a 2-week exposure to 400 ppm slight gait abnormality was detected in 50% of the rats and hypotonia was present in all rats. Continuous exposure of rabbits to approximately 50 ppm carbonyl sulfide for 7 weeks slightly elevated the mean serum cholesterol concentration. Serum triglyceride concentration was largely unaffected. Carbon sulfide is neither genotoxic nor a developmental toxicant but does reversibly impair male fertility. A decrease in pregnancy rate was observed in unexposed female rats mated with male rats exposed to 182 ppm carbonyl sulfide 6 hours/day, 5 days/week for 10 weeks and 6 hours/day, 7 days/week for a 3-week mating period. When the males were allowed to recover for 10 weeks prior to mating to unexposed females, no alterations in fertility were observed. ECOTOXICITY STUDIES: In insects, carbonic anhydrase has a key role in toxicity of carbonyl sulfide.

Regulatorische Informationen

RCRA RequirementsD003; A solid waste containing sulfide cmpd may become characterized as a hazardous waste when subjected to testing for reactivity as stipulated in 40 CFR 261.23, and if so characterized, must be managed as a hazardous waste. /Sulfide cmpd/
Atmospheric Standards · 1 Eintrag

Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Carbonyl sulfide is included on this list.

CERCLA Reportable Quantities · 1 Eintrag

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV.D.3.b).

DHS Chemicals of Interest (COI) · 6 Einträge

Carbon oxysulfide

1.00

10,000

Flammable chemical that can be released at a facility.

Carbonyl sulfide

56.67

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2204
RTECS-Nr.
FG6400000
risk_code
11-20-36/37/38
Toxizität
LD50 i.p. in rats: 22.5 mg/kg; LC50 by inhalation (mg/m3): 2940 in mice (35 min); 2650 in rats (4 h) (Bartholomaeus, Haritos)

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 5 Einträge

In vitro studies suggest that carbonyl sulfide is metabolized to hydrogen sulfide and thiosulfate ... and in vivo evidence suggests that it is metabolized by carbonic anhydrase ... and the mixed function oxidase enzyme system to carbon dioxide.

Pre-exposure to acetazolamide (a carbonic anhydrase inhibitor) resulted in a decrease in mortality in rats exposed via intraperitoneal injection to a lethal dose of carbonyl sulfide ... There is also in vitro evidence that carbonyl sulfide is metabolized by the mixed-function oxidase enzyme system to carbon dioxide ... However, the metabolism was not inhibited by the cytochrome P-450 monooxygenase inhibitors (SKF 525-A, 4-methylpyrazole, metyrapone) or substrate (carbon disulfide).

... Studies on carbon disulfide metabolism using rat-liver microsomes ... demonstrated that carbonyl sulfide is an intermediate in formation of carbon dioxide ... The first step is microsomal cytochrome P450-mediated, NADPH-dependent ... & common by-product, atomic sulfur, seems ... Implicated in inhibition of P450 by carbon disulfide and by carbonyl sulfide.

Carbonyl sulfide is evidently metabolized to hydrogen sulfide by carbonic anhydrase. It is the hydrogen sulfide produced that is responsible for carbonyl sulfide toxicity.

... In microsomes, (CS2) metabolism was increased by phenobarbital pretreatment of the rats and decreased with pretreatment of the rats with cobaltous chloride. In both microsomes and hepatocytes, CS2 metabolism was inhibited by SKF-525A. Carbon dioxide (CO2) was the major volatile metabolite of CS2 in hepatocytes, and carbonyl sulfide (COS) was the major volatile metabolite in microsomal incubations. Addition of cytosol to microsomal incubations shifted the predominant volatile metabolite from COS to CO2 but did not change total volatile metabolite formation. Acetazolamide, a carbonic anhydrase inhibitor, significantly decreased COS metabolism but not CS2 metabolism in isolated hepatocytes or microsomes fortified with dialyzed cytosol. When [(18)O]H2O was included in incubations of microsomes and CS2, a substantial portion of the resulting COS was [(18)O] enriched.

Absorption, Distribution and Excretion · 2 Einträge

Carbonyl sulfide is absorbed via the respiratory tract based on the finding of histological damage in the brains of rats exposed to carbonyl sulfide gas.

Carbonyl sulfide, a new hydrophobic and volatile metabolite of disulfiram was found in blood samples from alcoholics treated with single or repeated doses of disulfiram. The dosage schedule included 400 mg of disulfiram every second or third day. After an interval of 3 days with no treatment, all were given a dose of 400 mg and blood samples taken before ingestion and 4 hr after ingestion. Of the samples take before this last dose, five had detectable concentrations of carbonyl sulfide (10 to 54 nmol/L) and the sixth was negative. In the samples taken after 4 hr, the carbony sulfide concentrations were higher in all subjects. Four subjects had carbonyl sulfide concentrations in the range 20 to 60 nmol/L. Two subjects showed 30-fold increases: from 10 to 28 nmol/L and from 16 to 540 nmol/L.

Verwendung und Herstellung

Uses · 6 Einträge

Carbonyl sulfide is used as an intermediate in the synthesis of organic sulfur compounds and alkyl carbonates.

Used as a chemical intermediate; Workers may be exposed during petroleum refining, coal destructive distillation, or rayon production; [HSDB] Produced naturally in soil and compost; Other sources are tobacco smoke, burning fossil fuels, gasification, and making petrochemicals; Also used as a grain fumigant and to make drugs, flavors, fragrances, pesticides, and rayon; [ACGIH]

Petroleum Production and Refining [Category: Industry]

Smoking cigarettes [Category: Food & Drugs]

The commercial importance of carbonyl sulfide is limited; it is not produced in large quantity, and is used principally for small-scale synthesis and experiments.

Carbonyl sulfide (COS) is a new grain fumigant which has been developed to replace methyl bromide, being phased out due to its ozone depletion properties, and to supplement phosphine gas which is experiencing increased insect resistance. Treatment of commodities with COS, a highly effective fumigant, results in residues that are near or indistinguishable to natural background levels of this compound.

U.S. Production · 4 Einträge

2023: 1,000,000 - <5,000,000 lb

(1977) AT LEAST 4.54X10+8 G (CAPTIVE PRODN)

Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#5704]

Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Carbon oxide sulfide:

Consumer UsesFuel agents
Industry UsesFuel agents
Methods of Manufacturing · 3 Einträge

Hydrolysis of ammonium or potassium thiocyanate.

Production of carbonyl sulfide may be by the reaction of carbon monoxide with sulfur, reduction of sulfur dioxide with carbon, or hydrolysis of carbon disulfide. Small amounts of carbonyl sulfide invariably are formed when carbonaceous fuel is pyrolyzed in the presence of oxygen, steam, and sulfur compounds; the removal of carbonyl sulfide from these gas streams is the subject of many studies.

Reaction of phosgene with cadmium sulfide.

Formulations/Preparations97.5% minimum purity grade
Anwendungen · 2 Einträge

OccurrenceCarbonyl sulfide, COS, is now recognized as a component of the atmosphere at a tropospheric concentration of approximately 500 parts per trillion by volume, corresponding to a global burden of about 2.4 million tons. It is, therefore, a significant sulfur species in the atmosphere. It is possible that the HO• radicalinitiated oxidation of COS and carbon disulfide (CS2) would yield 8-12 million tons as S in atmospheric sulfur dioxide per year. Though this is a small yield compared to pollution sources, the HO•-initiated process could account for much of the SO2 burden in the remote troposphere. Both COS and CS2 are oxidized in the atmosphere by reactions initiated by the hydroxyl radical. The initial reactions are HO• + COS ® CO2 + HS• (11.10.1) HO• + CS2 ® COS + HS• (11.10.2) These reactions with hydroxyl radical initiate oxidation processes that occur through a series of atmospheric chemical reactions. The sulfur-containing products that are initially formed as shown by Reactions 11.10.1 and 11.10.2 undergo further reactions to sulfur dioxide and, eventually, to sulfate species.

Verwendencarbonyl sulfide is use as a fumigant for durable commodities and structures was patented worldwide by Australia in 1992. It is effective on a wide range of pests, including the common stored product species at reasonable concentrations (less than 50 gm-3) and exposure times (1-5 days) . However, the egg stage of several insects showed tolerance to the fumigant. The other problems associated with the use of carbonyl sulfide include its high tainting odour on the treated products and reduction in the germination of seeds. Hydrogen sulphide, an impurity, present in fumigant product supply was reported to be responsible for the off-odour problem. Selective removal of hydrogen sulphide using absorbents like tertiary amine may solve the tainting issues with this fumigant.

Ergänzende Hinweise

DefinitionChEBI: A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds.

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