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About This Item
Empirical Formula (Hill Notation):
C7H7NO2
CAS Number:
Molecular Weight:
137.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C7H7NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-5H,1H3
SMILES string
[H]C(=O)c1cccc(OC)n1
InChI key
YDNWTNODZDSPNZ-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.532
bp
103-104 °C/20 mmHg
density
1.140 g/mL at 25 °C
functional group
aldehyde
Quality Level
Application
Synthesis of the corresponding α-pyridoin via treatment with NaCN.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
177.8 °F - closed cup
flash_point_c
81 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Masashi Hatanaka et al.
Bioorganic & medicinal chemistry, 13(24), 6763-6770 (2005-08-30)
Focusing on alpha-pyridoin (1, 1,2-di(2-pyridyl)-1,2-ethenediol) as the lead compound of the novel antioxidative enediol, we synthesized 5,5'- or 6,6'-bis-substituted derivatives of 1 from disubstituted pyridines. The antioxidant activity of 1 and its synthetic derivatives 2-7 was evaluated by DPPH (1,1-diphenyl-2-picrylhydrazyl
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