487376

3-Nitrophenyl isothiocyanate

98%

• 化学式: O₂NC₆H₄NCS
• CAS番号: 3529-82-6
• 分子量: 180.18
• MDL番号: MFCD00041245
• UNSPSCコード: 12352100
• PubChem Substance ID: 24872267
• NACRES: NA.22

特性

• 品質水準: 100
• アッセイ: 98%
• mp: 57-60 °C (lit.)
• 保管温度: 2-8°C
• SMILES記法: [O-][N+](=O)c1cccc(c1)N=C=S
• InChI: 1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
• InChI Key: OEZXLKSZOAWNJU-UHFFFAOYSA-N

詳細

詳細

3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported.

アプリケーション

3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one.
It may be used in the synthesis of the following thiourea derivatives:

• N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thiourea
• N-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thiourea
• R/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea

安全性情報

• ピクトグラム: GHS05
• シグナルワード: Danger
• 危険有害性情報: H314
• 注意書き: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• 危険有害性の分類: Skin Corr. 1B
• 保管分類コード: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges