393320

2,4,6-Cycloheptatriene-1-carbonitrile

95%

• 실험식(Hill 표기법): C₈H₇N
• CAS Number: 13612-59-4
• Molecular Weight: 117.15
• MDL number: MFCD00191965
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24864514
• NACRES: NA.22

속성

• 분석: 95%
• 양식: liquid
• refractive index: n20/D 1.533 (lit.)
• bp: 51-53 °C/1.5 mmHg (lit.)
• density: 1.017 g/mL at 25 °C (lit.)
• 작용기: nitrile
• SMILES string: N#CC1C=CC=CC=C1
• InChI: 1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
• InChI key: LADCKIXFXIKHQM-UHFFFAOYSA-N

설명

일반 설명

2,4,6-Cycloheptatriene-1-carbonitrile (7-Cyanocycloheptatriene) is a 7-substituted cycloheptatriene. Its synthesis by reacting tropylium cation with cyanide anion has been described.[1] 2,4,6-cycloheptatriene-1-carbonitrile affords toluene or toluonitrile during flash photolysis studies.[2] Its diamagnetic susceptibility has been determined, which is useful for the derivation of its susceptibility exaltation.[3] It reacts with acetyl acetone in the presence of Mn(OAc)₃ to form products derived from the norcaradiene structure.[1]

애플리케이션

2,4,6-Cycloheptatriene-1-carbonitrile (7-cyanocycloheptatriene ) may be used in the synthesis of 7-carbomethoxycycloheptatriene.[4] It may be used as model compound for EPR[5] and intramolecular proton transfer studies[6] of cycloheptatriene radicals and anions. It can also be used to generate dihydroazocines and hydrooxocins.[7]

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 Oral
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point (°F): 185.0 °F - closed cup
• Flash Point (°C): 85 °C - closed cup
• 개인 보호 장비: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter