438618

3-Cyano-4-methylcoumarin

97%

• 실험식(Hill 표기법): C₁₁H₇NO₂
• CAS Number: 24526-69-0
• Molecular Weight: 185.18
• MDL number: MFCD00486386
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24867463
• NACRES: NA.22

속성

• 분석: 97%
• mp: 192-195 °C (dec.) (lit.)
• 작용기: ester; nitrile
• 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

설명

일반 설명

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).[1] It has been reported to be formed during the Knoevenagel condensation of o-hydroxyacetophenone with ethyl cyanoacetate catalyzed by calcined Mg-Al hydrotalcite.[2] Synthesis of 3-cyano-4-methylcoumarin, via condensation of o-hydroxyacetophenone with ethyl cyanoacetate in the presence of sodium ethylate, has been reported.[3]

안전성 정보

• 픽토그램: GHS07
• 신호어: Warning
• 유해 및 위험 성명서: H302 + H312 + H332
• 예방조치 성명서: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• 개인 보호 장비: dust mask type N95 (US), Eyeshields, Gloves