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经验公式(希尔记法):
C10H5NO2
化学文摘社编号:
分子量:
171.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Quality Segment
assay
97%
mp
174-176 °C (lit.)
functional group
ketone, nitrile
SMILES string
O=C1C(=COc2ccccc12)C#N
InChI
1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H
InChI key
SFWNPLLGXKJESA-UHFFFAOYSA-N
General description
3-Cyanochromone (4-Oxo-4H-1-benzopyran-3-carbonitrile), a 3-substituted chromone, is a cyano substituted 1-benzopyran-4-one. It is an α,β-unsaturated nitrile and also an α,β-unsaturated ketone. Its molecule has electron deficiency at 3 sites i.e C (carbon) at second position, C of cyano and carbonyl group. 2-Amino-3-(alkyliminomethyl)chromones are obtained as major products during its reaction with aliphatic amines.
Application
3-Cyanochromone may be used in the syntheses of following:
- 2-aminochromone-3-carboxamide
- 3-amino-4H-chromeno[3,4-d]isoxazol-4-one
- 3-(diaminomethylene)chroman-2,4-dione
- functionalized novel spirobenzofuranones
- 6H-bis-[1]-benzopyrano[2,3-b:3′,4′-e]pyridin-8(8H)ones and 3-(2′-hydroxybenzoyl)-5H-[1]benzopyrano[4,3-b]pyridine
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation
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
Not applicable
flash_point_c
Not applicable
