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3-氰基-4-甲基香豆素
3-Cyano-4-methylcoumarin
产品别名
24526-69-0
3-氰基-4-甲基香豆素
3-Cyano-4-methylcoumarin
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C11H7NO2 |
| Molecular weight | 185.18 |
| MDL number | MFCD00486386 |
| PubChem Substance ID【PubChem化学物质编号】 | 24867463 |
| NACRES | NA.22 |
| General description【一般描述】 | 3-Cyano-4-methylcoumarin is a 3-substituted 4-methylcoumarin derivative. Its structural properties, vibrational frequencies and electronic spectra has been studied by density functional theory (DFT). It has been reported to be formed during the Knoevenagel condensation of o-hydroxyacetophenone with ethyl cyanoacetate catalyzed by calcined Mg-Al hydrotalcite. Synthesis of 3-cyano-4-methylcoumarin, via condensation of o-hydroxyacetophenone with ethyl cyanoacetate in the presence of sodium ethylate, has been reported. |
产品性质
| Quality Level【质量水平】 | 100 |
| Assay【测定】 | 97% |
| mp | 192-195 ℃ (dec.) (lit.) |
| SMILES string | CC1=C(C#N)C(=O)Oc2ccccc12 |
| InChI | 1S/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3 |
| InChI key | FFBLBFMTKGSSPY-UHFFFAOYSA-N |
| packaging【包装】 | 1 g in glass bottle |
安全信息
| Pictograms【象形图】 | GHS07 |
| Signal word【警示用语：】 | Warning |
| Hazard Statements | H302 + H312 + H332 |
| Precautionary Statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 |
| Hazard Classifications【危险分类】 | Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral |
| Storage Class Code【储存分类代码】 | 11 - Combustible Solids |
| WGK | WGK 3 |
| Personal Protective Equipment【个人防护装备】 | dust mask type N95 (US), Eyeshields, Gloves |
