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Safety Information

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

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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

193968-5G:
193968-BULK:
193968-25G:
193968-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCC6122
MKBX1257V
MKBG4113V
00708EH
15208EH

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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)
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)

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