8.03520

N,N′-Diethylthiourea

for synthesis

• 別名: N,N′-Diethylthiourea, 1,3-Diethylthiourea
• 化学式: (C₂H₅NH)₂CS
• CAS番号: 105-55-5
• 分子量: 132.23
• MDL番号: MFCD00004925
• UNSPSCコード: 12352111
• EC Index Number: 203-308-5
• NACRES: NA.22

特性

• 蒸気圧: 0.0000064 hPa ( 20 °C)
• 品質水準: 200
• アッセイ: ≥98.0% (HPLC)
• フォーム: crystals
• 有効性: 316 mg/kg LD₅₀, oral (Rat)
• pH: 7 (20 °C, 38 g/L in H₂O)
• mp: 75-78 °C
• 転移温度: flash point 186 °C
• 密度: 1.12 g/cm³ at 20 °C
• かさ密度: 735 kg/m³
• 保管温度: 2-30°C
• SMILES記法: S=C(NCC)NCC
• InChI: 1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
• InChI Key: FLVIGYVXZHLUHP-UHFFFAOYSA-N

詳細

アプリケーション

• Solid–Liquid Phase Equilibrium and Thermodynamic Analysis of N,N′-Diethylthiourea in Different Solvent Systems: This study investigates the solid–liquid phase equilibrium of N,N′-diethylthiourea in various solvent systems, analyzing both solid-state structure and solution thermodynamics (M Yao et al., 2019).


• Appraisal of the hydrogen atom transfer mechanism for the reaction between thiourea derivatives and OH radical: A comparative study of N,N′-dimethylthiourea and N,N′-diethylthiourea with OH radicals, highlighting the less toxic nature of diethylthiourea (KRN Serobatse, MM Kabanda, 2017).

アナリシスノート

Assay (HPLC, area%): ≥ 98.0 % (a/a)
Melting range (lower value): ≥ 75 °C
Melting range (upper value): ≤ 78 °C
Identity (IR): passes test

安全性情報

• ピクトグラム: GHS05,GHS07,GHS08
• シグナルワード: Danger
• 危険有害性情報: H302 + H312 - H317 - H318 - H351 - H412
• 注意書き: P273 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 - P308 + P313
• 危険有害性の分類: Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 2 - Eye Dam. 1 - Skin Sens. 1B
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 2
• 引火点(°F): 366.8 °F
• 引火点(℃): 186 °C