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4-异氰酰基苯甲酸甲酯
Methyl 4-isocyanatobenzoate
产品别名
23138-53-6
4-异氰酰基苯甲酸甲酯
Methyl 4-isocyanatobenzoate
结构式
基本信息
| Linear Formula【线性分子式】 | OCNC6H4CO2CH3 |
| Molecular weight | 177.16 |
| MDL number | MFCD01863690 |
| PubChem Substance ID【PubChem化学物质编号】 | 24873592 |
| NACRES | NA.22 |
| General description【一般描述】 | Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group. |
| Application【应用】 | 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. |
产品性质
| Quality Level【质量水平】 | 100 |
| Assay【测定】 | 98% |
| mp | 50-52 ℃ (lit.) |
| storage temp.【储存温度】 | 2-8℃ |
| SMILES string | 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 key | FQDDBYGPHUUTRN-UHFFFAOYSA-N |
| packaging【包装】 | 5 g in glass bottle |
安全信息
| Pictograms【象形图】 | GHS07,GHS08 |
| Signal word【警示用语：】 | Danger |
| Hazard Statements | H302 + H312 + H332 - H315 - H317 - H319 - H334 - H335 |
| Precautionary Statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338 |
| Hazard Classifications【危险分类】 | 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 |
| Target Organs【靶器官】 | Respiratory system |
| Storage Class Code【储存分类代码】 | 11 - Combustible Solids |
| WGK | WGK 3 |
| Flash Point(F)【闪点(F)】 | 230.0 °F - closed cup |
| Flash Point(C)【闪点(C)】 | 110 ℃ - closed cup |
| Personal Protective Equipment【个人防护装备】 | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
