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经验公式(希尔记法):
C13H9N
化学文摘社编号:
分子量:
179.22
UNSPSC Code:
12171500
NACRES:
NA.32
PubChem Substance ID:
EC Number:
205-934-4
Beilstein/REAXYS Number:
120204
MDL number:
产品名称
菲啶, suitable for fluorescence, BioReagent, ≥98.0% (GC)
InChI key
RDOWQLZANAYVLL-UHFFFAOYSA-N
InChI
1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
SMILES string
c1ccc2c(c1)cnc3ccccc23
product line
BioReagent
assay
≥98.0% (GC)
bp
349 °C/769 mmHg (lit.)
mp
104-107 °C (lit.)
104-107 °C
solubility
phosphate buffer: soluble
fluorescence
λex 305 nm; λem 370 nm in DMSO
suitability
suitable for fluorescence
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Analysis Note
In addition to the emission maximum at 370 nm, there are lower maxima at 351, 390, 410, and 442 nm.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
212.0 °F - closed cup
flash_point_c
100 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
法规信息
新产品
此项目有
Harrie J M Gijsen et al.
Journal of medicinal chemistry, 53(19), 7011-7020 (2010-09-03)
The TRPA1 channel can be considered as a key biological sensor to irritant chemicals. In this paper, the discovery of 11H-dibenz[b,e]azepines (morphanthridines) and dibenz[b,f][1,4]oxazepines is described as extremely potent agonists of the TRPA1 receptor. This has led to the discovery
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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