ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

1,3-ジチオロ[4,5-b]キノキサリン-2-チオン

Thioquinox

HCID 7159
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
93-75-4
標準SMILES
S=c1sc2nc3ccccc3nc2s1
InChIKey
ILERPRJWJPJZDN-UHFFFAOYSA-N
分子式
C9H4N2S3
平均分子量
236.3 g/mol
単同位体質量
235.95366166

概要

Thioquinox is a quinoxaline antifungal agent, a quinoxaline acaricide and a dithioloquinoxaline.

名称と識別子

優先名称
Thioquinox
IUPAC
[1,3]dithiolo[4,5-b]quinoxaline-2-thione
現地名
1,3-ジチオロ[4,5-b]キノキサリン-2-チオン
英語名
Thioquinox
分子式
C9H4N2S3
分子量
236.34

名称と別名

THIOQUINOXQuinothionate93-75-4ChinothionatThiaquinoxReadex[1,3]dithiolo[4,5-b]quinoxaline-2-thioneThioquinox [ISO]Bayer 30686Caswell No. 720Quinoxaline-2,3-diyl trithiocarbonate1,3-Dithiolo[4,5-b]quinoxaline-2-thione
名称をさらに表示
1,3-ジチオロ[4,5-b]キノキサリン-2-チオンチノチオナットチオキノックスエラデックスキノチオナートチアキノックスレアデックスエラジトン2H-[1,3]ジチオロ[4,5-b]キノキサリン-2-チオンss1451B-31686bay30686ent25,579Ai3-25579bayer30686ss1451[qr]
2-Thioxo-1,3-dithiolo(4,5-b)quinoxalineBAY 30686Eraditon2,3-Quinoxalinedithiol cyclic-trithiocarbonateENT 25,5792,3-Quinoxalinedithiol, cyclic trithiocarbonateSS 14512-Thio-1,3-dithio(4,5-b)quinoxaline

データベース識別子

CAS
93-75-4

物性

構造計算による物性

XLogP
3.3
極性表面積
108 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
0
重原子数
14
形式電荷
0
複雑度
234

実験および物理化学的性質

PesticidesPesticides -> Other Insecticides
LogPlog Kow = 1.3 /Estimated/
OdorOdorless
Color/FormBrownish yellow solid
Solubility · 3 件

Slightly soluble in acetone, methanol. Anhydrous ethanol, -petroleum ether and kerosene

Insoluble in water

PRACTICALLY INSOL IN MOST ORG SOLVENTS

Melting Point180 °C
Vapor Pressure · 2 件

0.00000006 [mmHg]

1X10-7 mm Hg at 20 °C

Physical DescriptionBrownish-yellow odorless solid; [HSDB]
Stability/Shelf Life · 2 件

Stable to 200 °C and to light. Susceptible to oxidation to s-oxides without reduction of biological activity

At room temperature, extremely stable against hydrolytic effects ...

Other Experimental PropertiesBegins to melt at 165 °C but does not decompose until temp exceeds 200 °C /Technical/

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

危険有害性情報

Hazards Summary · 1 件

Technical product caused skin irritation in 2 of 8 people tested; No adverse effects in rats after skin applications of 3000 mg/kg; Rats fed 100 mg/kg/day for 2 weeks had weakness, weight loss, and one death; Lethal human dose is probably 1 ounce to 1 pint; [HSDB]

Hazard Classes and Categories · 2 件

Acute toxicity - category 4

Acute Tox. 4 *

Skin, Eye, and Respiratory Irritations... Technical product caused irritation to forearms of 2 of 8 people tested.

安全と保護具

Preventive Measures · 4 件

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

化学と産業

用途と製造

Uses · 6 件

Used as a non-systemic acaricide (effective against eggs) and fungicide (specific against powdery mildews); Not currently registered with the EPA for use in the US; [HSDB]

Farming (Pesticides) [Category: Industry]

For thioquinox (USEPA/OPP Pesticide Code: 084401) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Good ovicide for control of spiders on ornamentals

Thioquinox is a non-systemic acaricide effective against eggs; a fungicide specific against powdery mildews

Fungicide, acaricide.

Methods of Manufacturing · 3 件

Made by reaction of thiophosgene and quinoxaline-2,3-dithiol...

/It is manufactured/ by reaction of phosgene and 2,3-dimercapto-quinoxaline.

Preparation: Sasse et al, US 3141886 (1964 to Bayer); DE 1088965 (1960); BE 580478 (1958).

Formulations/Preparations · 3 件

/It is/ formulated as: 'eradex', 25% and 50% wettable powders.

Eradex

Erazidon

General Manufacturing Information · 4 件

It was introduced, in 1957, by Bayer Leverkusen under code numbers 'Bayer 30686' & 'SS1451', Trademark 'eradex' & protection of Belgian Patent 580,478.

Product discontinued by Bayer AG, Federal Republic of Germany.

Withdrawn for registration in North America because of skin sensitizing effect.

Not recommended /to mix with/ Morestan

応用分野

使用Thioquinox is a fungicide/insecticide used in pesticide formulations. Toxic to various species of mites. A member of the quinoxoline class of pesticides.

サプライヤー6 社

天津阿尔塔科技有限公司

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
PubChem CID
7159
DTXSID
DTXSID3042471
ChEBI
CHEBI:38822
UNII
0DRA4L621C
EC Number
202-272-8
Nikkaji
J4.684A

物理化学的性質

融点
180 ° · 180°
Henry's Law Constant
1.3 · 1.3×102 mol/(m3Pa) at 25℃, HSDB (2015)
EPAの化学物質情報
Thioquinox (93-75-4)

化学的性質

化学的特性Yellow solid. Insoluble in water; slightly soluble in acetone, kerosene, and alcohol.

Avoid skin contact and inhalation of the dust.

Apparently has low inhalation hazard.

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 150(SRC), determined from a structure estimation method(2), indicates that thioquinox is expected to have moderate mobility in soil(SRC). Volatilization of thioquinox from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.8X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Thioquinox is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1X10-7 mm Hg(4). Biodegradation data were not available(SRC, 2005).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 150(SRC), determined from a structure estimation method(2), indicates that thioquinox is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 7.8X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 2(SRC), from an estimated log Kow of 1.3(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2005).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), thioquinox, which has a vapor pressure of 1X10-7 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase thioquinox 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 2 days(SRC), calculated from its rate constant of 7.9X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase thioquinox may be removed from the air by wet and dry deposition(SRC). Thioquinox has been reported to be stable to light(4).

Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc for thioquinox can be estimated to be 150(SRC). According to a classification scheme(2), this estimated Koc value suggests that thioquinox is expected to have moderate mobility in soil.

Human Toxicity Excerpts/OTHER TOXICITY INFORMATION/ ... Technical product caused irritation to forearms of 2 of 8 people tested.
Artificial Pollution SourcesThioquinox's former production and use as an acaricide and fungicide(1) resulted in its direct release to the environment(SRC).
Environmental Bioconcentration · 1 件

An estimated BCF of 2 was calculated for thioquinox(SRC), using an estimated log Kow of 1.3(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1 件

The Henry's Law constant for thioquinox is estimated as 7.8X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that thioquinox is expected to be essentially nonvolatile from water surfaces(2). Thioquinox's Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Thioquinox is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1X10-7 mm Hg(3).

Non-Human Toxicity Excerpts · 3 件

/LABORATORY ANIMALS: Acute Exposure/ ...Dermal applications of 3,000 mg/kg did not affect rats...

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ In rats fed at levels of ...100 mg/kg/day it produced weakness, wt loss, and 1 death after 2 weeks.

/GENOTOXICITY/ Rec-assay procedure (H17 rec+ & M45 rec- Bacillus subtilis strains) and reversion assays on plates (auxotrophic strains of Escherichia coli (WP2) & Salmonella typhimurium (Ames series)) showed no evidence of thioquinox mutagenicity.

Environmental Abiotic Degradation · 1 件

The rate constant for the vapor-phase reaction of thioquinox with photochemically-produced hydroxyl radicals has been estimated as 7.9X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Thioquinox has been shown to be resistant to hydrolysis(2). Thioquinox has been reported to be stable to light(2).

Probable Routes of Human Exposure · 1 件

Occupational exposure and general population exposure should be low or non-existent since thioquinox is no longer produced or used. In the past, thioquinox was applied directly to crops as an acaricide and fungicide and exposure to this compound was primarily by dermal contact and inhalation. (SRC)

Environmental Fate/Exposure Summary · 1 件

Thioquinox's former production and use as an acaricide and fungicde resulted in its direct release to the environment. If released to air, a vapor pressure of 1X10-7 mm Hg at 20 °C indicates thioquinox will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase thioquinox will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 2 days. Particulate-phase thioquinox will be removed from the atmosphere by wet and dry deposition. Thioquinox has been shown to be stable to light. If released to soil, thioquinox is expected to have moderate mobility based upon an estimated Koc of 150. Volatilization from water and moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 7.8X10-8 atm-cu m/mole. Thioquinox is not expected to volatilize from dry soil surfaces based upon its vapor pressure. If released into water, thioquinox is expected to adsorb to suspended solids and sediment based upon the estimated Koc. An estimated BCF of 2 suggests the potential for bioconcentration in aquatic organisms is low. Thioquinox has been reported to be resistant to hydrolysis because of the lack of hydrolyzable functional groups. Currently occupational exposure and general population exposure should be low or non-existent since thioquinox is no longer produced or used. In the past, thioquinox was applied directly to crops as an acaricide and fungicide and exposure to this compound was primarily by dermal contact and inhalation. (SRC)

Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

Non-Human Toxicity Values · 2 件

LD50 Rat oral 3.4 g/kg

LD50 guinea pigs oral 1.0 g/kg

安全データ

毒性
LD50 orally in rats: 3.4 g/kg (Sasse)
hs_code
29349990
risk_code
22
hazard_code
Xn
safety_code
24
有毒物質データの
93-75-4(Hazardous Substances Data)
022-6537-8550 15522853686 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]