ChemicalBook > CAS DataBase List > 3'-Fluoro-4'-hydroxyacetophenone

3'-Fluoro-4'-hydroxyacetophenone

Product Name
3'-Fluoro-4'-hydroxyacetophenone
CAS No.
403-14-5
Chemical Name
3'-Fluoro-4'-hydroxyacetophenone
Synonyms
BUTTPARK 153\33-64;3-FLUORO-4-HYDROXYACETOPHENONE;3'-Fluoro-4'-hydroxyacetophenone;3'-Fluoro-4'-hydroxyacetophenone>1-(3-FLUORO-4-HYDROXYPHENYL)ETHANONE;3'-Fluoro-4'-hydroxyacetophenone, 98+%;Ethanone, 1-(3-fluoro-4-hydroxyphenyl)-;1-(3-FLUORO-4-HYDROXYPHENYL)-1-ETHANONE;1-(3-fluoro-4-hydroxyphenyl)ethan-1-one;1-(3-fluoro-4-hydroxyphenyl)-1-ethanone (en)
CBNumber
CB4675321
Molecular Formula
C8H7FO2
Formula Weight
154.14
MOL File
403-14-5.mol
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3'-Fluoro-4'-hydroxyacetophenone Property

Melting point:
127-129°C
Boiling point:
125-135 °C(Press: 2 Torr)
Density 
1.247±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
form 
powder to crystal
pka
6.91±0.18(Predicted)
color 
Light yellow to Yellow to Orange
BRN 
1936529
InChIKey
GSWTXZXGONEVJC-UHFFFAOYSA-N
CAS DataBase Reference
403-14-5(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
HazardClass 
IRRITANT
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

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
CDS002790
Product name
3′-Fluoro-4′-hydroxyacetophenone
Purity
Aldrich<SUP>CPR</SUP>
Packaging
100 mg
Price
$73.1
Updated
2025/07/31
TCI Chemical
Product number
F0843
Product name
3'-Fluoro-4'-hydroxyacetophenone
Purity
>97.0%(GC)(T)
Packaging
1g
Price
$59
Updated
2025/07/31
TCI Chemical
Product number
F0843
Product name
3'-Fluoro-4'-hydroxyacetophenone
Purity
>97.0%(GC)(T)
Packaging
5g
Price
$235
Updated
2025/07/31
TRC
Product number
F597378
Product name
3''-Fluoro-4''-hydroxyacetophenone
Packaging
250mg
Price
$55
Updated
2021/12/16
TRC
Product number
F597378
Product name
3''-Fluoro-4''-hydroxyacetophenone
Packaging
1g
Price
$75
Updated
2021/12/16
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3'-Fluoro-4'-hydroxyacetophenone Chemical Properties,Usage,Production

Uses

3''-Fluoro-4''-hydroxyacetophenone

Preparation

Preparation by reaction of pyridinium chloride on 3-fluoro-4- methoxyacetophenone at reflux (78%).

Synthesis

29650-44-0

367-12-4

403-14-5

699-92-3

The mixture was heated to 120 °C with 2-fluorophenyl acetate (3,1.070 kg, 6.94 mol) and monochlorobenzene (5.34 L). Aluminum trichloride (1.39 kg, 10.42 mol) was added in batches over a period of 70-75 min at 120 °C, increasing the temperature by about 5 °C by controlling the rate of addition. The reaction was continued at the same temperature for 3 hours. Subsequently, the reaction mixture was cooled to 0-5 °C. Water (1.07 L) and 3.5% hydrochloric acid (2.14 L) were added sequentially under vigorous stirring using an ice bath to keep the internal temperature below 30 °C. The mixture was stirred vigorously at 5-10 °C for 1 h and then filtered, the solid filter cake was washed with water (1 L) and dried to give a beige solid, i.e., para-isomer 4 (416 g, 38.8% yield, HPLC purity >98%). The organic layer was separated from the filtrate and the organic layer was washed with water (2 L) and concentrated at atmospheric pressure to give the crude product (530 g), which was subsequently purified by steam distillation. The first part of the steam distillation was a liquid rich in 2-fluorophenol (45.2 g, LC analysis showed 70% 2-fluorophenol, 4% 4, 21% 5), and the second part was a light yellow solid, i.e., the neighboring isomer 5. The product 5 was separated by filtration, washed with water (80 mL), and then dried under vacuum to give the title compound (257.6 g, yield 24%, HPLC purity > 98.2%) as a light yellow solid. Steam distillation of the residue (HPLC analysis showed 92.7% 4, 3.63% 5) was crystallized by MTBE:hexane to give compound 4 (205.4 g, 19.2% yield, HPLC purity >98%).1H NMR (CDCl3, 400 MHz) data for 3-fluoro-4-hydroxyacetophenone (4): δ 7.75-7.67 (m, 2H, ArH), 7.06 (t, 1H, J = 8.4 Hz, ArH), 5.98 (d, 1H, J = 4 Hz, Ar-OH), 2.56 (s, 3H, Ac). m/z 153.00 was observed by LCMS. 1H NMR (CDCl3, 400 MHz) data of 3-fluoro-2-hydroxyacetophenone (5): δ 12.29 (s, 1H OH), 7.56-7.51 (m, 1H, ArH), 7.32-7.25 (m, 1H, ArH), 6.88-6.81 (m, 1H, ArH), 2.66 (s, 3H, CH3). m/z 153.00 observed by LCMS.

References

[1] Tetrahedron Letters, 2014, vol. 55, # 15, p. 2426 - 2429

3'-Fluoro-4'-hydroxyacetophenone Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3'-Fluoro-4'-hydroxyacetophenone manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
3'-Fluoro-4'-hydroxyacetophenone 403-14-5
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-06
Henan Bao Enluo International TradeCo.,LTD
Product
3'-Fluoro-4'-hydroxyacetophenone 403-14-5
Price
US $50.00/kg
Min. Order
1kg
Purity
99.9%
Supply Ability
10000MT
Release date
2023-08-08
Honest Joy Holdings Limited
Product
3'-Fluoro-4'-hydroxyacetophenone 403-14-5
Price
US $0.00/KG
Min. Order
1KG
Purity
98.3%
Supply Ability
100 tons
Release date
2022-02-20

403-14-5, 3'-Fluoro-4'-hydroxyacetophenoneRelated Search:


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