所有图片(1)
About This Item
经验公式（希尔记法）:
C8H7N
CAS号:
分子量:
117.15
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案
95%
表单
liquid
折射率
n20/D 1.533 (lit.)
沸点
51-53 °C/1.5 mmHg (lit.)
密度
1.017 g/mL at 25 °C (lit.)
官能团
nitrile
SMILES字符串
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
一般描述
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. 2,4,6-cycloheptatriene-1-carbonitrile affords toluene or toluonitrile during flash photolysis studies. Its diamagnetic susceptibility has been determined, which is useful for the derivation of its susceptibility exaltation. It reacts with acetyl acetone in the presence of Mn(OAc)3 to form products derived from the norcaradiene structure.
应用
用于环庚三烯自由基和阴离子的 EPR 和分子内质子转移研究的有效模型。还可用于生成 dihydroazocines 和 hydrooxocins。
警示用语：
Warning
危险分类
Acute Tox. 4 Oral
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
185.0 °F - closed cup
闪点(°C)
85 °C - closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
The 7-Cycloheptatrienylmethyl/7-Norcaradienylmethyl Cation System.
Pikulik I and Childs RF
Canadian Journal of Chemistry, 53(12), 1818-1828 (1975)
The Journal of Organic Chemistry, 52, 2666-2666 (1987)
Tetrahedron Letters, 28, 2513-2513 (1987)
Magnetic Resonance in Chemistry, 28, 364-364 (1990)
Reaction of cycloheptatriene derivatives with 1, 3-diketones in the presence of Mn(OAc)3.
Sudemen MB, et al.
Turkish Journal of Chemistry, 35(1), 1-11 (2011)
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