368954

3-Hydroxyisoquinoline

99%

• 동의어(들): 3-Isoquinolinol
• 실험식(Hill 표기법): C₉H₇NO
• CAS Number: 7651-81-2
• Molecular Weight: 145.16
• MDL number: MFCD00075524
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24862944
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 99%
• 양식: solid
• mp: 192-194 °C (lit.)
• SMILES string: Oc1cc2ccccc2cn1
• InChI: 1S/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6H,(H,10,11)
• InChI key: GYPOFOQUZZUVQL-UHFFFAOYSA-N

설명

일반 설명

Two excited state proton transfer mechanisms of 3-hydroxyisoquinoline (3HIQ) in cyclohexane and acetic acid has been investigated by time-dependent density functional theory (TDDFT). Spectral and photo physical properties of 3-HIQ in various protic/aprotic solvents were studied. Phototautomerization of 3-HIQ has been reported. Oxo-hydroxy tautomerism and phototautomerism of 3-HIQ has been studied using the matrix-isolation technique.

안전성 정보

• 픽토그램: GHS05,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H302,H318
• 예방조치 성명서: P280 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1
• 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