487376

3-硝基苯基异硫氰酸酯

98%

• 線性公式: O₂NC₆H₄NCS
• CAS號碼: 3529-82-6
• 分子量：: 180.18
• MDL號碼: MFCD00041245
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24872267
• NACRES: NA.22
• 化驗: 98%

屬性

• 品質等級: 100
• 化驗: 98%
• mp: 57-60 °C (lit.)
• 官能基: isothiocyanate; nitro
• 儲存溫度: 2-8°C
• SMILES 字串: [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 密鑰: OEZXLKSZOAWNJU-UHFFFAOYSA-N

描述

一般說明

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.

應用

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

安全資訊

• 象形圖: GHS05
• 訊號詞: Danger
• 危險聲明: H314
• 防範說明: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• 危險分類: Skin Corr. 1B
• 儲存類別代碼: 8A - Combustible corrosive hazardous materials
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges