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Chlorothalonil
TPN · TETRACHLOROISOPHTHALONITRILE · 2,4,5,6-TETRACHLOROISOPHTHALONITRILE · REACH · CHLORTHALONIL · CHLOROTALONIL · Ole · DACONIL
Identifikatoren & physikalische Daten
| CAS No. | 1897-45-6 |
|---|---|
| Summenformel | C8Cl4N2 |
| Durchschnittliche Molmasse | 265,9 g/mol |
| Monoisotopische Masse | 263,881559 g/mol |
| SMILES | N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl |
| InChIKey | CRQQGFGUEAVUIL-UHFFFAOYSA-N |
| PubChem CID | 15910 |
| ChEMBL | CHEMBL468167 |
| ChEBI | CHEBI:3639 |
| EC No. | 217-588-1 |
| DTXSID | DTXSID0020319 |
| Lokaler Name | Chlorothalonil |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 284 |
| LogP (Verteilungskoeffizient) | log Kow = 3.05 |
| Geruch | Odorless in pure form |
| Dichte | 1.7 at 77 °F (NTP, 1992) - Denser than waterwill sink1.732 at 20 °CRelative density (water = 1): 1.82.8 @25 °Cd425 1.7 |
| Color/Form | Colorless crystalsWHITE CRYSTALLINE SOLID |
| Löslichkeit | less than 0.1 mg/mL at 70 °F (NTP, 1992)In water, 0.81 mg/L at 25 °CSoluble in benzeneSolubility (g/L, 25 °C): 20.9 acetone22.4 1,2-dichloroethane13.8 ethyl acetate0.2 n-heptane1.7 methanol74.4 xyleneSolubility in water, g/100ml at 25 °C:180mg/L in organic solvents at 20 ℃0.6-1.2 mg l-1 (25 °C) |
| Corrosivity | Non-corrosive |
| Siedepunkt | 662 °F at 760 mmHg (NTP, 1992)350 °C350 °C @760 [mm Hg]bp760 350° |
| Decomposition | May decompose at high temp to emit hydrogen chloride.When heated to decomposition it emits very toxic fumes of /hydrogen chloride, nitrogen oxides, and hydrogen cyanide/. |
| Schmelzpunkt | 482 to 484 °F (NTP, 1992)252.1 °C250-251 °C250-251° |
| Dampfdruck | less than 0.01 mmHg at 104 °F9.2 mmHg at 338.7 °F (NTP, 1992)0.00000057 [mmHg]5.7X10-7 mm Hg at 25 °CVapor pressure, Pa at 40 °C:0.00000057 [mm Hg] @25 °C7.6 x 10-5 Pa (25 °C) |
| Henry-Konstante | Henry's Law constant = 2.5X10-7 atm-cu m/mole at 25 °C5.0×101 mol/(m3Pa) at 25℃, Kawamoto and Urano (1989) |
| Physical Description | Chlorothalonil appears as colorless crystals or granules or light gray powder. Melting point 250-251 °C. No odor when puretechnical grade has a slightly pungent odor. A fungicide formulated as water-dispersible granules, wettable powder, or dust.Colorless or white odorless solid[HSDB] White solidFormulated in the form of dust, granular, wettable powder, dry flowable, flowable concentrate, impregnated material, and ready-to-use[Reference #2]ODOURLESS COLOURLESS CRYSTALS. |
| Flammpunkt | 2 °C |
| Lagerbedingungen | 0-6°C |
| Aggregatzustand | Powder |
| Farbe | White |
| Geruch | odorless in pure form |
| Merck | 14,2166 |
| BRN | 1978326 |
| Stabilität | Light Sensitive |
| Hauptanwendungen | agriculturecleaning productscosmeticsenvironmentalfood and beveragespersonal care |
| InChI | 1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 |
| InChIKey | CRQQGFGUEAVUIL-UHFFFAOYSA-N |
| SMILES | Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl |
| LogP (Verteilungskoeffizient) | 2.94 at 25℃ |
| CAS Datenbank | 1897-45-6(CAS DataBase Reference) |
| NIST chemische Informationen | Tetrachloroisophthalonitrile(1897-45-6) |
| EPA chemische Informationen | Chlorothalonil (1897-45-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H330: Fatal if inhaled [Danger Acute toxicity, inhalation]H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351: Suspected of causing cancer [Warning 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, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-Hazard Traits - CarcinogenicityAuthoritative List - Prop 65Report - regardless of intended function of ingredient in the productCommission Regulation No 844/201205/53/EC, Reg. (EU) 2017/1511, Reg. (EU) 2018/1262, Reg. (EU) 2019/677, Reg. (EU) No 533/2013, Reg. (EU) No 540/2011Status: Active Update: 17-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32255Chlorothalonil: HSNO Approval: HSR002825 Approved with controls |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-: Environment tier I assessmentIMAP assessments - CMR chemicals not registered under REACH: Human health tier II assessment |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Literature sources indicate that this compound is nonflammable. (NTP, 1992)Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion if formulations contain flammable/explosive solvents. |
Anwendungen & Verwendung
Beschreibung
Chlorothalonil is a pesticide fungicide commonly used in the cultivation of ornamental plants and flowers, rice, and onions. In banana plantations it is used in fumigations by airplanes. It can be used as a preservative of paints and of woods. Chlorothalonil can induce contact urticaria, irritant and allergic contact dermatitis, erythema dychromicum perstans or folliculitis mainly in agricultural workers, in those in wood-related professions or in hortieulturists.
Verwenden
Chlorothalonil is a polychlorinated aromatic broad spectrum non-systematic fungicide. Chlorothalonil is used heavily in agriculture field on crops such as peanuts, potatoes and tomatoes. Chlorothaloni l is a probable human carcinogen (Group B2) and is highly toxic to fish and aquatic invertabrates.