HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Prosulfocarb
DEFI · BOXER · r15574 · arkade · SC0574 · SC 0574 · SC-0574 · PROSULFOCARB
Identifikatoren & physikalische Daten
| CAS No. | 52888-80-9 |
|---|---|
| Summenformel | C14H21NOS |
| Durchschnittliche Molmasse | 251,39 g/mol |
| Monoisotopische Masse | 251,13438547 g/mol |
| SMILES | CCCN(CCC)C(=O)SCc1ccccc1 |
| InChIKey | NQLVQOSNDJXLKG-UHFFFAOYSA-N |
| PubChem CID | 62020 |
| ChEMBL | CHEMBL2251843 |
| ChEBI | CHEBI:81941 |
| EC No. | 401-730-6 |
| DTXSID | DTXSID3058119 |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 208 |
| Pestizide | HerbicidesActive substance -> EU Pesticides database: ApprovedPesticides -> Herbicides, OtherEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP (Verteilungskoeffizient) | 4.65 |
| Dampfdruck | 0.00000052 [mmHg] |
| Physical Description | Colorless liquid[Ullmann] |
| Collision Cross Section | 156.95 Ų [M+H]+ [CCS Type: TW]166.08 Ų [M+Na]+159.69 Ų [M]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+] |
| Schmelzpunkt | 25°C |
| Siedepunkt | 129 °C |
| Dichte | 1.0696 (rough estimate) |
| Brechungsindex | 1.7500 (estimate) |
| Flammpunkt | 100 °C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | -1.22±0.70(Predicted) |
| BRN | 4804364 |
| Henry-Konstante | 7.6×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 |
| InChIKey | NQLVQOSNDJXLKG-UHFFFAOYSA-N |
| SMILES | CCCN(CCC)C(=O)SCc1ccccc1 |
| LogP (Verteilungskoeffizient) | 4.650 |
| EPA chemische Informationen | Prosulfocarb (52888-80-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 396/2005 (amended)2007/76/EC, Reg. (EU) 2018/1262, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) No 540/2011REACH registered substance: S-benzyl N,N-dipropylthiocarbamate (EC: 401-730-6)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.) |
| 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 | Toxic by ingestion[Sax] |
| Reaktive Gruppe | Thiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts |
| Reactivity Profile | CARBAMOTHIOIC ACID, DIPROPYL-, S-(PHENYLMETHYL) ESTER is a thiocarbamate. Flammable gases are generated by the combination of thiocarbamates and dithiocarbamates with aldehydes, nitrides, and hydrides. Thiocarbamates and dithiocarbamates are incompatible with acids, peroxides, and acid halides. |
| Air and Water Reactions | Thio and dithiocarbamates slowly decompose in aqueous solution to form carbon disulfide and methylamine or other amines. Such decompositions are accelerated by acids. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4Acute Tox. 4 * |
Anwendungen & Verwendung
Verwenden
Prosulfocarb is a pesticide used in the protection of crops such as barley for its herbicidal activity.