ChemicalBook > CAS DataBase List > 1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE

1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE

Product Name
1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE
CAS No.
67818-41-1
Chemical Name
1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE
Synonyms
NSC 231605;2'-Chloro-4'-nitroacetophenone;1-(2-chloro-4-nitrophenyl)ethanone;Ethanone, 1-(2-chloro-4-nitrophenyl)-;1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE;1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE ISO 9001:2015 REACH
CBNumber
CB9353703
Molecular Formula
C8H6ClNO3
Formula Weight
199.59
MOL File
67818-41-1.mol
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1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE Property

Melting point:
43.0 to 47.0 °C
Boiling point:
270.9±20.0 °C(Predicted)
Density 
1.378±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
form 
powder to crystal
color 
Light yellow to Yellow to Orange
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Safety

HS Code 
2914790090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TCI Chemical
Product number
C3299
Product name
2'-Chloro-4'-nitroacetophenone
Purity
>98.0%(GC)
Packaging
1g
Price
$108
Updated
2025/07/31
TRC
Product number
C374835
Product name
1-(2-Chloro-4-nitrophenyl)ethanone
Packaging
500mg
Price
$85
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC67606
Product name
2'-Chloro-4'-nitroacetophenone
Packaging
5G
Price
$100
Updated
2021/12/16
AK Scientific
Product number
W7819
Product name
1-(2-Chloro-4-nitrophenyl)ethanone
Packaging
1g
Price
$143
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC67606
Product name
2'-Chloro-4'-nitroacetophenone
Packaging
10g
Price
$150
Updated
2021/12/16
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1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE Chemical Properties,Usage,Production

Uses

1-(2-Chloro-4-nitrophenyl)ethanone is used in the preparation of Propiconazole (P770100) as haptens in manufacture of antibodies with hybridomas for immunoassay.

Synthesis

7073-36-1

105-53-3

67818-41-1

Step 5: Synthesis of 1-(2-chloro-4-nitrophenyl)ethanone (7) Anhydrous magnesium chloride (47 g, 0.214 mol, 0.7 eq.) was suspended in toluene (300 mL) under dry conditions, followed by the addition of triethylamine (75.04 mL, 0.535 mol, 2.5 eq.) and diethyl malonate (41.09 g, 0.257 mol, 1.2 eq.). The reaction mixture was stirred at room temperature for 1.5 hours. 2-Chloro-4-nitrobenzoyl chloride (6) (47 g, 0.214 mol, 1 eq.) was slowly added dropwise, and an exothermic increase in temperature to 50 °C was observed during the dropwise addition. Flush with toluene (50 mL) to ensure complete transfer of 2-chloro-4-nitrobenzoyl chloride to the reaction system. The reaction mixture was continued to be stirred at room temperature for 18 h. The reaction progress was monitored by thin layer chromatography (TLC) and nuclear magnetic resonance (NMR). After complete consumption of the feedstock, 35% concentrated hydrochloric acid (300 mL) was added to separate the toluene layer. The toluene layer was concentrated under reduced pressure (temperature below 50 °C). Dimethyl sulfoxide (DMSO) (200 mL) and water (10 mL) were added to the residue and the mixture was heated at 160 °C for 12 h. The reaction progress was followed by TLC and NMR. After the reaction mixture was cooled to room temperature, water (40 mL) was added and extracted with ethyl acetate (EtOAc) (3 x 200 mL). The organic phases were combined, washed with saturated brine (3 × 300 mL) and dried over anhydrous sodium sulfate. The EtOAc layer was concentrated under reduced pressure to give a yellow liquid 1-(2-chloro-4-nitrophenyl)ethanone (7) (43 g, 84% yield), which was cooled and solidified. 1H NMR (400 MHz, CDCl3): δ (ppm): 8.29 (d, J = 2.2 Hz, 1H), 8.17 (dd, J = 8.5, 2.1 Hz, 1H), 7.65 (d, J = 8.4 Hz, 1H), 2.66 (s, 3H).

References

[1] Patent: WO2015/31650, 2015, A1. Location in patent: Paragraph 0189
[2] Patent: US2018/28518, 2018, A1. Location in patent: Paragraph 0432; 0471; 0476

1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE Preparation Products And Raw materials

Raw materials

Preparation Products

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1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE Suppliers

Shanghai Harvest Chemical Industrial Co., Ltd.
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View Lastest Price from 1-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE manufacturers

Henan Fengda Chemical Co., Ltd
Product
1-(2-Chloro-4-nitrophenyl)ethanone 67818-41-1
Price
US $5.00-0.50/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-01-13