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193968

4′-Chloro-3′-nitroacetophenone

99%

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About This Item

Linear Formula:
ClC6H3(NO2)COCH3
CAS Number:
5465-65-6
Molecular Weight:
199.59
EC Number:
226-769-4
MDL number:
MFCD00007083
UNSPSC Code:
12352100
PubChem Substance ID:
24851624
NACRES:
NA.22

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Quality Level

100

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

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This Item
553654543780415774
4′-Chloro-3′-nitroacetophenone 99%

Sigma-Aldrich

193968

4′-Chloro-3′-nitroacetophenone

4′-Methoxy-3′-nitroacetophenone 97%

Sigma-Aldrich

553654

4′-Methoxy-3′-nitroacetophenone

5′-Fluoro-2′-hydroxy-3′-nitroacetophenone 98%

Sigma-Aldrich

543780

5′-Fluoro-2′-hydroxy-3′-nitroacetophenone

5′-Chloro-2′-hydroxy-3′-nitroacetophenone 99%

Sigma-Aldrich

415774

5′-Chloro-2′-hydroxy-3′-nitroacetophenone

assay

99%

assay

97%

assay

98%

assay

99%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

mp

99-101 °C (lit.)

mp

97-100 °C (lit.)

mp

87-90 °C (lit.)

mp

132-135 °C (lit.)

functional group

chloro

functional group

ketone, nitro

functional group

fluoro, ketone, nitro

functional group

chloro, ketone, nitro

General description

4′-Chloro-3′-nitroacetophenone is the intermediate formed during the synthesis of 4-chloro-3-nitrostyrene[1]. It participates in deamination reaction of 4-chloro-5- and -3-nitro-2-aminoacetophanones[2].

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[3].

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCC6122
MKBX1257V
MKBG4113V
00708EH
15208EH

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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
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)
Synthesis of 4-chloro-3-nitrostyrene.
Strantzalis N, et al.
Polym. Bull., 15(5), 431-438 (1986)

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