产品说明
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.
包装
1 g in glass bottle
基本信息
| 经验(实验)分子式 | C11H7NO2 |
| 分子量 | 185.18 |
| MDL编号 | MFCD00486386 |
| PubChem化学物质编号 | 24867463 |
| NACRES | NA.22 |
产品性质
| 质量水平 | 100 |
| 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 |
安全信息
| 象形图 |  |
| 警示用语： | Warning |
| 危险声明 | H302 + H312 + H332 |
| 预防措施声明 | P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 |
| 危险分类 | Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral |
| 储存分类代码 | 11 - Combustible Solids |
| WGK | WGK 3 |
| 闪点(F) | Not applicable |
| 闪点(C) | Not applicable |
| 个人防护装备 | dust mask type N95 (US), Eyeshields, Gloves |
Sigma-Aldrich
m.cnreagent.com
