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193968

Sigma-Aldrich

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

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

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
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)

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