캡타폴

캡타폴 · 켑타폴 · 2-(1,1,2,2-테트라클로로에틸설판일)-3a,4,7,7a-테트라하이드로아이소인돌-1,3-다이온 · 3a,4,7,7a-테트라하이드로-2-((1,1,2,2-사염화에틸)티오)-1H-이소인돌-1,3(2H)-디온 · 3a,4,7,7a-테트라하이드로-2-[(1,1,2,2-테트라클로로에틸)싸이오]-1H-아이소인돌-1,3(2H)-다이온 · 3a,4,7,7a-테트라하이드로-N-(1,1,2,2-테트라클로로에테인설펜일)프탈이미드 · N-(1,1,2,2-테트라클로로에틸싸이오)-4-사이클로헥센-1,2-다이카복스이미드 · N-(1,1,2,2-테트라클로로에틸싸이오)-4-사이클로헥센-1,2-다이카복시이미드

https://huagongshe.com/ko/chemical/17038

식별자 및 물리적 특성

CAS No.	2425-06-1
분자식	C10H9Cl4NO2S
평균 분자량	349.1 g/mol
단동위원소 질량	346.91081 g/mol
SMILES	O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl
InChIKey	JHRWWRDRBPCWTF-UHFFFAOYSA-N
PubChem CID	17038
ChEMBL	CHEMBL1893263
ChEBI	CHEBI:81938
EC No.	219-363-3
DTXSID	DTXSID4020242
현지명	캡타폴

화학 및 물리적 성질

XLogP	3.8
극성 표면적	62.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	18
형식 전하	0
복잡도	387
LogP(분배 계수)	log Kow = 3.8
냄새	Slight, characteristic pungent odor.
밀도	Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.4682 (rough estimate)
Color/Form	White, solidColorless to pale yellow crystalsWhite, crystalline solid [Note: Available commercially as a wettable powder or in liquid form].
용해도	0.0001 % (NIOSH, 2024)Slightly soluble in most organic solventssolubility (g/kg): isopropanol 13benzene 25toluene 17xylene 100acetone 43methyl ethyl ketone 44dimethyl sulfoxide 170In water, 1.4 mg/l @ 20 °CSolubility in water: none0.0001%Chloroform (Sparingly), Dichloromethane (Very Slightly), Methanol (Slightly)
끓는 점	Decomposes (NIOSH, 2024)365.7±52.0 °C(Predicted)
Decomposition	When heated to decomposition it emits very toxic fumes of /hydrogen chloride, oxides of nitrogen and oxides of sulfur/.Rapidly hydrolyzed in acidic and alkaline media. At 50 °C, 50% decomposition occurs in about 3 hr at pH 6.Decomposes slowly at the melting point.
녹는점	321 °F (Decomposes) (NIOSH, 2024)160-161 °Cdecomposes slowly at melting point160 - 161 °C321 °F (decomposes)160-161°
증기 밀도	Relative vapor density (air = 1): 12
증기압	8e-06 mmHg (NIOSH, 2024)0.00000001 [mmHg]8.27X10-9 mm Hg @ 20 °C0.000008 mmHg1.1 x 10-6 Pa (20 °C)
Physical Description	Captafol is a white crystalline solid with a slight, but pungent odor. Mp: 162 °C. Practically insoluble in water. Only slightly soluble in organic solvents. Technical captafol is a wettable light tan powder that is used as a fungicide. Inhaled dust irritates the respiratory tract. Irritates skin and damages eyes. Acute oral toxicity in humans is low. Not persistent in the environment (decomposes with a half-life of 11 days in the soil). Highly toxic to fish and other aquatic organisms.White, crystalline solid with a slight, characteristic pungent odor. [fungicide] [Note: Available commercially as a wettable powder or in liquid form.] [NIOSH]COLOURLESS CRYSTALLINE POWDER.White, crystalline solid with a slight, characteristic pungent odor.White, crystalline solid with a slight, characteristic pungent odor. [fungicide] [Note: Available commercially as a wettable powder or in liquid form.]
Stability/Shelf Life	Slowly hydrolyzed in aqueous emulsion or suspension. Rapidly hydrolyzed in acidic and alkaline media. Decomposes slowly at the melting point.
굴절률	1.6000 (estimate)
인화점	>100 °C
저장 조건	0-6°C
물리적 상태	고체
용해도	1.4mg l-1(20°C)
pKa(산도 계수)	-2.67±0.20(Predicted)
색상	흰색에서 황백색까지
Merck	13,1777
헨리 상수	2.0×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
EPA	Captafol (2425-06-1)

화학적 성질

Captafol is a white crystalline solid.

안전 및 규제

GHS 분류	DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H350: May cause cancer [Danger Carcinogenicity]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
규제 정보	Hazard Traits - CarcinogenicityAuthoritative List - EC Annex VI CMRs - Cat. 1BIARC Carcinogens - 2ANTP RoC - reasonableProp 65Report - regardless of intended function of ingredient in the productCaptafol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.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.)
기타 안전 정보	IMAP assessments - 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-: Human health tier I assessmentIMAP assessments - 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-: Environment tier I assessment
화재 위험	Combustible. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	Excerpt from NIOSH Pocket Guide for Captafol:Exposure Routes: Inhalation, skin absorption, ingestion, skin and/or eye contactSymptoms: Irritation eyes, skin, respiratory systemdermatitis, skin sensitizationconjunctivitisbronchitis, wheezingdiarrhea, vomitingliver, kidney injuryhigh blood pressureIn Animals: teratogenic effects[potential occupational carcinogen]Target Organs: Eyes, skin, respiratory system, central nervous system, liver, kidneys, cardiovascular system

용도

Captafol is used to control a wide range of fungal diseases on many crops.

일반 설명

White crystalline solid with a slight, but pungent odor. Mp: 162°C. Practically insoluble in water. Only slightly soluble in organic solvents. Technical CAPTAFOL is a wettable light tan powder that is used as a fungicide. Inhaled dust irritates the respiratory tract. Irritates skin and damages eyes. Acute oral toxicity in humans is low. Not persistent in the environment (decomposes with a half-life of 11 days in the soil). Highly toxic to fish and other aquatic organisms.