150231
4-Chloroquinaldine
99%
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About This Item
Empirical Formula (Hill Notation):
C10H8ClN
CAS Number:
Molecular Weight:
177.63
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
224-300-8
MDL number:
Assay:
99%
Form:
liquid
InChI key
HQAIROMRVBVWSK-UHFFFAOYSA-N
InChI
1S/C10H8ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
SMILES string
Cc1cc(Cl)c2ccccc2n1
assay
99%
form
liquid
refractive index
n20/D 1.622 (lit.)
bp
269-270 °C (lit.)
density
0.881 g/mL at 25 °C (lit.)
functional group
chloro
Application
4-Chloroquinaldine was used in the preparation of 4-phenyl-hydrazinoquinaldine.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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208. The reaction between phenylhydrazine and 4-chloroquinoline derivatives, and the preparation of the corresponding 4-benzeneazo-and 4-amino-compounds.
Backeberg OG.
Journal of the Chemical Society, 1083-1087 (1938)
K N Vennila et al.
Bioorganic chemistry, 81, 184-190 (2018-08-24)
The induced fit docking of anilino quinoline scaffold results in the required hydrogen bonding interactions with amino acid residues in the orthosteric site of 3 Phosphoinositide dependent kinase (PDK1). The rational design of 4-substituted amino quinolines is carried out and
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