羰基硫

Carbonyl Sulfide

HCID 10039CAS 463-58-1

基本信息

标准SMILES
O=C=S
InChIKey
JJWKPURADFRFRB-UHFFFAOYSA-N
分子式
COS
平均分子量
60.08 g/mol
单同位素质量
59.96698562

概述

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.

名称与标识

首选名称
Carbonyl Sulfide
IUPAC
sulfanylidenemethanone
中文名
羰基硫
英文名
Carbonyl sulfide
分子式
COS
分子量
60.07

名称与别名

CARBONYL SULFIDECarbon oxysulfide463-58-1Carbonyl sulphideCarbon oxide sulfideOxycarbon sulfideCarbon monoxide monosulfideCarbon oxide sulfide (COS)DTXSID6023949871UI0ET21CHEBI:16573RefChem:123642
展开更多名称
硫化碳羰基硫硫化羰硫化碳酰氧硫化碳硫酰羟胺硫甲酰素羰基硫醚羰基硫 4N羰基硫标准气体COSthioforminOxothioxocarbonoxycarbonsulfideThioxo-methanoneOxomethanethione
DTXCID903949carbonyl sulfide;oxidosulfidocarbon207-340-0thioxomethanonecarbonylsulfideoxidosulfidocarbonC(O)SO=C=S

数据库标识

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

性质

结构计算性质

XLogP
1.5
极性表面积
49.2 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
3

实验与物化性质

Chemical Classes · 3 条

Hazardous Air Pollutants (HAPs)

Toxic Gases & Vapors -> Other Toxic Gases & Vapors

Flammable agents - 4th degree

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

Odorless when very pure

Typical sulfide odor except when pure

Density · 3 条

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

物理化学性质

熔点
138 °C · −138 °C(lit.)
沸点
50 °C · −50 °C(lit.)
密度
1.274 · 1.274; 2.4849
蒸气密度
2.1 · 2.1 (20 °C, vs air)
蒸气压
9034 mm · 9034 mm Hg ( 21 °C)
折射率
1.3785 · n 1.3785

化学性质

本品为无色无味气体,m.p.-138.2℃,b.p.-50℃,相对密度0.986,气体密度2.688 g/L(标准状态下),蒸气压30℃时1.5 MPa,溶解度(25℃时)100 mL水中溶解0.122g,100个体积单位的乙醇溶解800个单位,100个体积单位的甲苯溶液溶解1500个体积单位,本品为有毒且能燃烧的气体。

安全与法规

GHS分类

GHS Classification · 6 条

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]

危害信息

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

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 条

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 条

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.

安全与防护

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

· 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 条

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 条

· 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 条

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.

毒理信息

Body Burden · 1 条

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 条

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 条

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 条

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.

法规信息

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 条

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 条

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 条

Carbon oxysulfide

1.00

10,000

Flammable chemical that can be released at a facility.

Carbonyl sulfide

56.67

安全数据

wgk
3
tsca
TSCA listed
毒性
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)
RTECS号
FG6400000
危险等级
2.3
存储类别
2A - Gases

毒性防护

急性毒性吸入-大鼠 LCL0: 2270 毫克/立方米; 腹注-小鼠 LD50: 23 毫克/公斤

职业标准TLV-TWA 10 毫克/立方米; STEL 20 毫克/立方米

包装储运 · 4 条

类别压缩气体和液化气体

爆炸物危险特性与空气混合易爆

可燃性危险特性易燃; 燃烧生成有毒二氧化硫气体; 与水反应生成硫化氢气体

储运特性库房通风低温干燥; 与氧化剂分开存放

化学与工业

药理信息

Metabolism/Metabolites · 5 条

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 条

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.

用途与制造

Uses · 6 条

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 条

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 条

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

应用领域

用途氧硫化碳是氨基甲酸酯类除草剂如禾草丹、野燕畏、燕麦敌、燕麦敌2号等的中间体。

用途用于有机合成中间体,农药工业用于合成除草剂、杀草丹、燕麦敌、杀虫剂巴丹等。

制备方法 · 2 条

生产方法1.由一氧化碳与硫磺气相催化合成硫磺与一氧化碳的摩尔配料比为3-5:1,反应温度350-450℃,以硫化物(如硫化钠、硫化钾、硫化镍等)为催化剂,常压反应0.5-2min,收率92%-97%,产品纯度92%以上。此反应也可采用加压催化的方式,以乙酸钠为催化剂,以丁醇为溶剂,在1.27MPa、125-130℃下反应,以90%的收率获得氧硫化碳。此外,以BX分子筛为催化剂,采用气-固催化法制氧硫化碳也取得了较好的结果。2.由二硫化碳与尿素反应而得。在120-160℃反应3.5-4h,氧硫化碳收率可达90%-98%,硫氰化铵的收率可达70%-80%。3.由一氧化碳与二氧化硫反应而得此法以木炭为催化剂,反应温度为760-980℃。4.二氧化碳与硫化氢在250-400℃,常压下催化反应,也可制得氧硫化碳。催化剂为碳酸钠、硫酸钾等。

生产方法其制备方法是用焦炭和氧气在一氧化碳发生炉中反应生成一氧化碳,经冷却、水洗、除尘、碱洗,并脱除硫化氢、二氧化碳等杂质,进入一氧化碳气柜备用。硫磺经融熔后定量加入氧硫化碳反应器,并保持反应器内一定的硫磺液面,按照一氧化碳∶硫磺=1∶3的比例将经过脱水干燥的一氧化碳以鼓泡方式通入反应器中,与硫磺蒸气混合均匀,再进入列管式氧硫化碳反应器,在有催化剂存在下,在400~500℃时生成氧硫化碳,经脱除未反应的硫磺,冷却、碱洗,除去二氧化碳和硫化氢等杂质后,得到含量90%以上的氧硫化碳。CO+S[催化剂]→[400~500℃]COS

相关反应

24 条

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