2,4-디티오비뷰렛

Dithiobiuret

HCID 2758725CAS 541-53-7

기본 정보

표준 SMILES
NC(=S)NC(N)=S
InChIKey
JIRRNZWTWJGJCT-UHFFFAOYSA-N
분자식
C2H5N3S2
평균 분자량
135.22 g/mol
단동위원소 질량
134.99248916

개요

Dithiobiuret is a crystalline solid. Used as a plasticizer, as a rubber accelerator, and as an intermediate in manufacturing of pesticides. (EPA, 1998)

이름 및 식별자

우선 이름
Dithiobiuret
IUPAC
carbamothioylthiourea
현지명
2,4-디티오비뷰렛
영어명
Dithiobiuret
분자식
C2H5N3S2
분자량
135.21

이름 및 동의어

Dithiobiuret541-53-72,4-DITHIOBIURETThioimidodicarbonic diamideBiuret, dithio-Imidodicarbonodithioic diamideBiuret, 2,4-dithio-Imidodicarbonimidothioic diamideAllophanimidic acid, dithio-Urea, 2-thio-1-(thiocarbamoyl)-Dithioallophanimidic acidDTXSID2034968
이름 더 보기
2,4-디티오비뷰렛디티오비우렛dtbdithio-biureDihydrothiuretDithiobiuret, AR2,4-dithio-biurethioimidodicarbonicrcrawastenumberp049
T40X2KXL53NSC-7761DTXCID0014968RefChem:443877208-784-8carbamothioylthioureaRCRA waste number P049NSC 7761

데이터베이스 식별자

CAS
541-53-7
PubChem CID
2758725
DTXSID
DTXSID2034968
ChEMBL
CHEMBL501562
UNII
T40X2KXL53
EC Number
208-784-8
Nikkaji
J21.643G

물성

구조 계산 물성

XLogP
-0.6
극성 표면적
128 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Thiourea Compounds
pHSATURATED AQ SOLN @ 30 °C: 5.8
Density · 3건

1.522 at 86 °F (EPA, 1998) - Denser than water; will sink

APPARENT BULK DENSITY 1.522 G/ML @ 30 °C

1.522 @ 30°C

Color/Form · 2건

MONOCLINIC OR TRICLINIC CRYSTALS

COLORLESS CRYSTALS

Solubility · 1건

@ 27 °C: 0.27 G/100 ML WATER, 2.2 G/100 G ETHANOL, 16 G/100 G ACETONE, ABOUT 34 G/100 G CELLOSOLVE; IN BOILING WATER= ABOUT 8%; IN 1%SODIUM HYDROXIDE= 3.6 G/100 G; IN 5% SODIUM HYDROXIDE= 16 G/100 G; IN 10% SODIUM HYDROXIDE= 29 G/100 G; SOL IN ALKALIES WITH FORMATION OF WATER-SOLUBLE SALTS.

DecompositionDECOMPOSES @ 181 °C

물리화학적 성질

녹는점
181 °C · 181 °C
끓는 점
272.1 · 272.1±23.0 °C(Predicted)
밀도
1.385 · 1.385 (estimate)
굴절률
1.58 · 1.5800 (estimate)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
11.15 · 11.15±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe 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
Fire HazardsWhen heated to decomposition, it emits highly toxic fumes of oxides of sulfur and nitrogen. (EPA, 1998)
Health HazardsThe material is highly toxic. It may cause respiratory failure. (EPA, 1998)
Hazards Summary · 2건

Causes respiratory paralysis in animal experiments; [Merck Index] No reported cases of human poisoning; Respiratory depression, excessive lacrimation, muscular weakness, flaccid paralysis, peripheral axonopathy, and hypothyroidism have been observed in experimental animals; [HSDB] Causes flaccid paralysis, cyanosis, and hyperglycemia in subcutaneous lethal-dose studies of rats; [RTECS] An irritant; [Alfa Aesar MSDS]

The major hazards encountered in the use and handling of 2,4-dithiobiuret stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this colorless, crystalline substance may occur from its use as a plasticizer and rubber accelerator, and as an intermediate in the manufacture of resins, insecticides, and rodenticides. Exposure to experimental animals has shown that 2,3-dithiobiuret may cause respiratory failure. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. 2,4-Dithiobiuret is a potential candidate for disposal by rotary kiln and fluidized bed forms of incineration.

Reactive GroupAmides and Imides

안전 및 보호

Fire Fighting(Non-Specific -- Dithiocarbamate Pesticide, Solid, n.o.s.) Wear boots, protective gloves, goggles and self-contained breathing apparatus.
First AidWarning: Dithiobiuret is a highly toxic material and may cause respiratory failure. Caution is advised.
Nonfire Spill Response · 1건

(Non-Specific -- Dithiocarbamate Pesticide, Solid, n.o.s.) Keep sparks, flames and other sources of ignition away. Keep material out of water sources and sewers. Avoid breathing dusts and fumes from burning material. Keep upwind; avoid bodily contact with the material. Do not handle broken packages without protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. (EPA, 1998)

Disposal Methods · 2건

Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number P049, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.

A potential candidate for rotary kiln incineration at a temperature range of 820 to 1,600 °C and residence times of seconds for liquids and gases, and hours for solids. A potential candidate for fluidized bed incineration at a temperature range of 450 to 980 °C and residence times of seconds for liquids and gases, and longer for solids.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3건

0.015 [mg/m3]

0.17 [mg/m3]

0.99 [mg/m3]

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: If 2,4-dithiobiuret is released to soil, it will be expected to hydrolyze relatively rapidly if the soil is moist, based upon a calculated half-life for hydrolysis in water of 4.1 days at 25 °C(1,SRC). Based upon this relatively rapid hydrolysis, adsorption to and volatilization from moist soil are not expected to be significant processes, although no data specifically regarding the fate of 2,4-dithiobiuret in soil were located(SRC).

AQUATIC FATE: If 2,4-dithiobiuret is released to water, it will be expected to hydrolyze relatively rapidly, based upon a measured hydrolysis rate constant of 7.1X10-3(1,SRC).

ATMOSPHERIC FATE: If 2,4-dithiobiuret is released to the atmosphere, it will be susceptible to photooxidation via vapor phase reaction with photochemically produced hydroxyl radicals. An atmospheric half-life of 3.8 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm has been calculated for this process based upon an estimated rate constant(1,SRC).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Soil Adsorption/MobilitySince 2,4-dithiobiuret hydrolyzes relatively rapidly in water(1) and presumably in moist soil(SRC), adsorption to soil is not expected to be a significant process(SRC).
Artificial Pollution Sources2,4-Dithiobiuret may be released to the environment as a result of its manufacture and use as a plasticizer and rubber accelerator, and in the manufacture of resins, rodenticides, and insecticides(1,2).
Environmental Biodegradation · 1건

No data were located concerning the biodegradation of 2,4-dithiobiuret either in natural systems or in laboratory studies(SRC). Since 2,4-dithiobiuret hydrolyzes relatively rapidly in water(1), biodegradation probably will not be a significant process in the environment(SRC).

Environmental BioconcentrationSince 2,4-dithiobiuret hydrolyzes relatively rapidly in water(1), bioconcentration in aquatic organisms is not expected to be a significant process(SRC).

규제 정보

RCRA Requirements · 1건

P049; As stipulated in 40 CFR 261.33, when 2,4-dithiobiuret, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to federal and/or state hazardous waste regulations. Also defined as a hazardous waste is any container or inner liner used to hold this waste or any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5(e)).

CERCLA Reportable Quantities · 2건

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; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Dithiobiuret is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 100/10,000 lbs.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
EC1575000
ridadr
UN 2811 6.1/PG 1
risk_code
26/27/28
hazard_code
T+

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Based on the thin-layer chromatographic analysis of urine from animals treated ip with 1 mg/kg of (14)C- or (35)S-labeled dithiobiuret (DTB) two pathways for metabolism are proposed. One pathway is reversible and involves the oxidation of DTB to thiuret and the reduction of thiuret back to DTB. The other pathway consists of the desulfuration of DTB to monothiobiuret.

Absorption, Distribution and Excretion · 2건

URINE WAS MAIN ROUTE OF ELIMINATION OF DITHIOBIURET-DERIVED (14)CARBON AFTER ADMIN TO RATS, & FECES WAS A MINOR ROUTE. ONLY 70-75% OF A DAILY DOSE WAS ELIMINATED IN THE FIRST 24 HR WHEN ADMIN @ RATE OF 0.25, 0.5 & 1 MG/KG/DAY. HIGHEST CONCN FOUND IN THYROID GLAND.

(14)C-labeled dithiobiuret (DTB)-derived radioactivity is eliminated by rats with an approx plasma half-life of 8-10 hr after treatment and approx 2-4% appears in the feces during the same time period. Accumulation of DTB or its metabolites in the thyroid gland is greater than in any other tissue and is saturable at 35 mg/kg.

용도 및 제조

Uses · 2건

Used as a plasticizer, rubber accelerator, and resin intermediate; Also used to make insecticides and rodenticides and to delay wilting of flowers; [Merck Index]

PLASTICIZER; RUBBER ACCELERATOR; INT IN RESIN MFR; IN MAKING INSECTICIDES & RODENTICIDES; CAN BE USED TO DELAY WILTING OF FLOWERS.

Methods of ManufacturingPREPARED BY INTERACTION OF DICYANDIAMIDE AND HYDROGEN SULFIDE IN INERT SOLVENTS UNDER PRESSURE.
General Manufacturing InformationThioimidodicarbonic diamide ([(H2N)C(S)]2NH): ACTIVE

응용 분야

일반 설명Crystalline solid. Used as a plasticizer, as a rubber accelerator, and as an intermediate in manufacturing of pesticides.

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北科麦迪化工有限公司18372743325
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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