193968
4′-Chloro-3′-nitroacetophenone
99%
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About This Item
Linear Formula:
ClC6H3(NO2)COCH3
CAS Number:
Molecular Weight:
199.59
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
226-769-4
MDL number:
Assay:
99%
Quality Level
assay
99%
mp
99-101 °C (lit.)
functional group
chloro, ketone, nitro
SMILES string
CC(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
InChI
1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChI key
YEVPHFIFGUWSMG-UHFFFAOYSA-N
General description
4′-Chloro-3′-nitroacetophenone is the intermediate formed during the synthesis of 4-chloro-3-nitrostyrene. It participates in deamination reaction of 4-chloro-5- and -3-nitro-2-aminoacetophanones.
Application
4′-Chloro-3′-nitroacetophenone was used to prepare starting reagent for the synthesis of 6- and 7-acetyl-3-methyl-2-quinoxalinecarboxamide1,4-dioxides.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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J P Dirlam et al.
Journal of medicinal chemistry, 21(5), 483-485 (1978-05-01)
The synthesis, separation, and structure determination of 6- and 7-acetyl--3-methyl-2-quinoxalinecarboxamide 1,4-dioxides are reported together with a comparison of their antibacterial activity. The structural assignment of these 6- and7-acetyl isomers was based on NMR analysis of related mono-N-oxide derivatives, which were
Synthesis of 4-chloro-3-nitrostyrene.
Strantzalis N, et al.
Polym. Bull., 15(5), 431-438 (1986)
Cinnolines; the preparation of 4-chloro-2-amino-acetophenone and related 4-hydroxycinnolines.
C M ATKINSON et al.
Journal of the Chemical Society, 232-237 (1947-02-01)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 193968-5G | 04061831819052 |