393320
2,4,6-环庚三烯-1-甲腈
95%
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关于此项目
经验公式（希尔记法）:
C8H7N
化学文摘社编号:
分子量:
117.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
产品名称
2,4,6-环庚三烯-1-甲腈, 95%
assay
95%
form
liquid
InChI
1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
SMILES string
N#CC1C=CC=CC=C1
InChI key
LADCKIXFXIKHQM-UHFFFAOYSA-N
refractive index
n20/D 1.533 (lit.)
bp
51-53 °C/1.5 mmHg (lit.)
density
1.017 g/mL at 25 °C (lit.)
functional group
nitrile
Application
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。
General description
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
185.0 °F - closed cup
flash_point_c
85 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
The Journal of Organic Chemistry, 52, 2666-2666 (1987)
The 7-Cycloheptatrienylmethyl/7-Norcaradienylmethyl Cation System.
Pikulik I and Childs RF
Canadian Journal of Chemistry, 53(12), 1818-1828 (1975)
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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