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经验公式(希尔记法):
C8H6N2O3
化学文摘社编号:
分子量:
178.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Form:
solid
InChI
1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12)
SMILES string
Nc1ccc2NC(=O)OC(=O)c2c1
InChI key
QEQDLBKVHJXPJA-UHFFFAOYSA-N
form
solid
impurities
may contain ≤10% DMF
mp
>300 °C (lit.)
functional group
ester
Quality Level
Application
Reactant for:
- β-cyclodextrin catalyzed synthesis of tryptanthrin and its analogs in water
- Synthesis of amino-chloroquinolyl derivatives as antimalarial agents
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - 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
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Synthesis and antimalarial activity of new 4-amino-7-chloroquinolyl amides, sulfonamides, ureas and thioureas.
Ekoue-Kovi K, et al.
Bioorganic & Medicinal Chemistry, 17(1), 270-283 (2009)
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