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プロスルホカルブ標準品
プロスルホカルブ標準品 · CS_N-13918-10MG_プロスルホカルブ · プロスルホカルブ · プロスルホカルブ STANDARD · プロスルホカルブ Standard, 100 µg/mL in Methanol · ジプロピルチオカルバミド酸S-ベンジル · N,N-ジプロピルチオカルバミド酸S-ベンジル · N,N-ジプロピル(ベンジルスルファニル)ホルムアミド
識別子と物理属性
| CAS No. | 52888-80-9 |
|---|---|
| 分子式 | C14H21NOS |
| 平均分子量 | 251.39 g/mol |
| 単同位体質量 | 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 |
| 現地名 | プロスルホカルブ標準品 |
化学・物理的性質
| XLogP | 3.9 |
|---|---|
| 極性表面積 | 45.6 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 7 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 208 |
| 農薬 | HerbicidesActive substance -> EU Pesticides database: ApprovedPesticides -> Herbicides, OtherEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP（分配係数） | 4.65 |
| 蒸気圧 | 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+] |
| 融点 | 25°C |
| 沸点 | 129 °C |
| 密度 | 1.0696 (rough estimate) |
| 屈折率 | 1.7500 (estimate) |
| 引火点 | 100 °C |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | -1.22±0.70(Predicted) |
| BRN | 4804364 |
| ヘンリー定数 | 7.6×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 主な用途 | 農業環境 |
| 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（分配係数） | 4.650 |
| EPAの化学物質情報 | Prosulfocarb (52888-80-9) |
安全性と法規制
| GHS 分類 | 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] |
|---|---|
| 規制情報 | 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.) |
| 輸送ラベル（DOT） | Class 9 |
| 火災危険 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| 健康有害性 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| 有害性の概要 | Toxic by ingestion[Sax] |
| 反応性グループ | 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 * |
| 消火 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| 応急処置 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
用途
使用
Prosulfocarb is a pesticide used in the protection of crops such as barley for its herbicidal activity.