478334

4-Methyl-2-nitrophenyl isocyanate

95%

• 化学式: CH₃C₆H₃(NO₂)NCO
• CAS番号: 57910-98-2
• 分子量: 178.14
• MDL番号: MFCD00014705
• UNSPSCコード: 12352100
• PubChem Substance ID: 24871493

特性

• アッセイ: 95%
• mp: 57-61 °C (lit.)
• 保管温度: 2-8°C
• SMILES記法: Cc1ccc(N=C=O)c(c1)[N+]([O-])=O
• InChI: 1S/C8H6N2O3/c1-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
• InChI Key: RTXDHIPQKZLDJD-UHFFFAOYSA-N

詳細

詳細

4-Methyl-2-nitrophenyl isocyanate, also known as 1-isocyanato-4-methyl-2-nitrobenzene, is an organic building block containing an isocyanate group. The conformational analysis of 4-methyl-2-nitrophenyl isocyanate has been reported based on its vibrational spectral data and density functional theory (DFT) calculations.

アプリケーション

4-Methyl-2-nitrophenyl isocyanate may be used in the preparation 4-methylphenyl analog of 2-[(2-nitrophenyl)amino]furanone.

安全性情報

• ピクトグラム: GHS08,GHS07
• シグナルワード: Danger
• 危険有害性情報: H302 + H312 + H332,H315,H317,H319,H334,H335
• 注意書き: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3
• 引火点(°F): 235.4 °F - closed cup
• 引火点(℃): 113 °C - closed cup
• 個人用保護具 (PPE): dust mask type N95 (US), Eyeshields, Gloves