HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thiobencarb
BENTHIOCARB · b-3015 · B 3015 · TOBOSA · BOLERO · SATURN · imc3950 · BIGTURN
Identifikatoren & physikalische Daten
| CAS No. | 28249-77-6 |
|---|---|
| Summenformel | C12H16ClNOS |
| Durchschnittliche Molmasse | 257,78 g/mol |
| Monoisotopische Masse | 257,064113 g/mol |
| SMILES | CCN(CC)C(=O)SCc1ccc(Cl)cc1 |
| InChIKey | QHTQREMOGMZHJV-UHFFFAOYSA-N |
| PubChem CID | 34192 |
| ChEMBL | CHEMBL388559 |
| ChEBI | CHEBI:35011 |
| EC No. | 248-924-5 |
| DTXSID | DTXSID6024337 |
| Lokaler Name | Thiobencarb |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 213 |
| Pestizide | Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, ThiocarbamatePesticide (Thiobencarb) -> USDA PDB |
| LogP (Verteilungskoeffizient) | log Kow = 3.403.78 |
| Geruch | Slight aromatic odor |
| Dichte | 1.67 at 20 °C1.0756 (rough estimate) |
| Color/Form | Clear, colorless liquidPale yellow liquid |
| Löslichkeit | In water, 28.0 mg/L at 25 °CIn water, 30.0 mg/L at 22 °CIn acetone, methanol, n-hexane, toluene, dichloromethane and ethyl acetate >500 g/LChloroform (Slightly), DMSO (Slightly), Methanol (Slightly)30mg/L(22 ºC) |
| Corrosivity | Relatively noncorrosive |
| Siedepunkt | BP: 126-129 °C at 0.008 mm Hg126-129°C |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride, nitrogen oxides, and sulfur oxides/. |
| Schmelzpunkt | 3.3 °C1.7°C |
| Dampfdruck | 0.000022 [mmHg]1.8X10-5 mm Hg at 23 °C |
| Physical Description | Thiobencarb is a pale yellow to brownish yellow liquid. Non corrosive. Used as an herbicide.Pale yellow to brownish-yellow liquidmp = 3.3 deg C[HSDB] Colorless liquid[MSDSonline] |
| Brechungsindex | 1.5630 (estimate) |
| Lagerbedingungen | APPROX 4°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -1.26±0.70(Predicted) |
| Farbe | Pale yellow |
| BRN | 1968440 |
| Henry-Konstante | 1.9×101 mol/(m3Pa) at 25℃, Watanabe (1993) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | QHTQREMOGMZHJV-UHFFFAOYSA-N |
| SMILES | C(SCC1=CC=C(Cl)C=C1)(=O)N(CC)CC |
| CAS Datenbank | 28249-77-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benthiocarb(28249-77-6) |
| EPA chemische Informationen | Thiobencarb (28249-77-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Hazard Traits - HematotoxicityOther Toxicological Hazard TraitsRegulation (EC) No 1107/2009 (amended)Thiobencarb is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/934The 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.) |
| Weitere Sicherheitsinformationen | IMAP assessments - Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester: Human health tier I assessment |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Gefahrenübersicht | A skin and eye irritant[HSDB] Toxic to liver in animal studies[PubChem] May cause irritation[MSDSonline] |
| Reaktive Gruppe | Thiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts |
| Special Reports | USEPA/Office of Prevention, Pesticides and Toxic Substances, Reregistration Eligibility Decision Document - Thiobencarb EPA 738-R-97-013 (December 1997). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the U.S.[Available from, as of October 11, 2012: http://iaspub.epa.gov/apex/pesticides/f?p=CHEMICALSEARCH:1] |
Anwendungen & Verwendung
Verwenden
Thiocarbamate herbicide used to control sedges and grasses in rice paddies.