511935

4-异氰酰基苯甲酸甲酯

98%

• 线性分子式: OCNC₆H₄CO₂CH₃
• CAS号: 23138-53-6
• 分子量: 177.16
• MDL號碼: MFCD01863690
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24873592
• NACRES: NA.22

属性

• 化驗: 98%
• mp: 50-52 °C (lit.)
• 官能基: ester; isocyanate
• 儲存溫度: 2-8°C
• SMILES 字串: COC(=O)c1ccc(cc1)N=C=O
• InChI: 1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
• InChI 密鑰: FQDDBYGPHUUTRN-UHFFFAOYSA-N

说明

一般說明

Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group.

應用

Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells.

安全信息

• 象形圖: GHS08,GHS07
• 訊號詞: Danger
• 危險聲明: H302 + H312 + H332,H315,H317,H319,H334,H335
• 防範說明: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• 危險分類: 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
• 標靶器官: Respiratory system
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: 230.0 °F - closed cup
• 閃點（°C）: 110 °C - closed cup
• 個人防護裝備: dust mask type N95 (US), Eyeshields, Faceshields, Gloves