4-Chloro-4'-fluorobutyrophenone
- CAS No.
- 3874-54-2
- Chemical Name:
- 4-Chloro-4'-fluorobutyrophenone
- Synonyms
- 4-CHLORO-4-FLUOROBUTYROPHENONE;NSC 87082;LUMAT-009;JACS-3874-54-2;AKOS BBS-00006481;uorobutyrophenone;TIMTEC-BB SBB003536;4-Chloro-4'-fluorobu;Haloperidol Impurity 1;Haloperidol Impurity 21
- CBNumber:
- CB3118281
- Molecular Formula:
- C10H10ClFO
- Molecular Weight:
- 200.64
- MDL Number:
- MFCD00001007
- MOL File:
- 3874-54-2.mol
- MSDS File:
- SDS
Melting point | 5-6 °C |
---|---|
Boiling point | 130-132 °C (0.97513 mmHg) |
Density | 1.22 g/mL at 25 °C(lit.) |
refractive index |
n |
Flash point | >230 °F |
storage temp. | Inert atmosphere,Room Temperature |
solubility | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
form | Oil |
color | Slightly yellow-greenish clear |
PH | 4.05 at 23.1℃ and 10g/L |
Water Solubility | 0.38 g/L (20 ºC) |
BRN | 608741 |
InChIKey | HXAOUYGZEOZTJO-UHFFFAOYSA-N |
LogP | 2.84 at 30℃ |
CAS DataBase Reference | 3874-54-2(CAS DataBase Reference) |
FDA UNII | FVL03C7JRR |
NIST Chemistry Reference | 1-Butanone, 4-chloro-1-(4-fluorophenyl)-(3874-54-2) |
EPA Substance Registry System | 1-Butanone, 4-chloro-1-(4-fluorophenyl)- (3874-54-2) |
SAFETY
Risk and Safety Statements
Symbol(GHS) | GHS07 |
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Signal word | Warning | |||||||||
Hazard statements | H302 | |||||||||
Precautionary statements | P264-P270-P301+P312a-P330-P501a | |||||||||
Hazard Codes | Xn,Xi | |||||||||
Risk Statements | 22-36/37/38-20/21/22 | |||||||||
Safety Statements | 24/25-36-26 | |||||||||
WGK Germany | 3 | |||||||||
Hazard Note | Irritant | |||||||||
TSCA | Yes | |||||||||
HS Code | 2914790090 | |||||||||
NFPA 704 |
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4-Chloro-4'-fluorobutyrophenone price More Price(27)
Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
---|---|---|---|---|---|---|---|
Sigma-Aldrich | C43609 | 4-Chloro-4′-fluorobutyrophenone 97% | 3874-54-2 | 25g | $54.3 | 2024-03-01 | Buy |
Sigma-Aldrich | C43609 | 4-Chloro-4′-fluorobutyrophenone 97% | 3874-54-2 | 100g | $138 | 2023-06-20 | Buy |
TCI Chemical | C1294 | 4-Chloro-4'-fluorobutyrophenone >97.0%(GC) | 3874-54-2 | 25g | $44 | 2024-03-01 | Buy |
Alfa Aesar | A11121 | 4-Chloro-4'-fluorobutyrophenone, 96% | 3874-54-2 | 25g | $22.9 | 2021-12-16 | Buy |
Alfa Aesar | A11121 | 4-Chloro-4'-fluorobutyrophenone, 96% | 3874-54-2 | 100g | $59 | 2021-12-16 | Buy |
4-Chloro-4'-fluorobutyrophenone Chemical Properties,Uses,Production
Chemical Properties
slightly yellow-greenish clear oil
Uses
4-Chloro-4''-fluorobutyrophenone (cas# 3874-54-2) is a compound useful in organic synthesis.
Uses
4-Chloro-4‘-fluorobutyrophenone is a pharmaceutical intermediate compound suitable for the production of antipsychotics and active pharmaceutical ingredients (APIs) for the treatment of depression.4-Chloro-4’-fluorobutyrophenone can be used as a synthesis of trifluprednis, azaperone, melperone, Melperone, Timiperone, Bromoperidol, Haloperidol, Benzoperidol, Droperidol, Fluanisone and other APIs as pharmaceutical intermediates.
Synthesis
The purified alkyne (5 mmol) was treated with a solution of HNTf2 (60-200 mol %) in 1,4-dioxane in apreheated oil bath at 100°C, under magnetic stirring, for 18-52 h, and the corresponding ketone was purified by column chromatography after cooling 4-Chloro-4'-fluorobutyrophenone. The reaction crude was purified by column chromatography using 20% AcOEt in n-hexane as an eluent. Isolated yield: 850 mg (85%). R f (20% AcOEt in n-hexane): 0.66. GC-MS (m/ z, M+? 200), major peaks found: 200 (1%), 164 (1%), 138 (43%), 123 (100%), 107 (10%). 1H NMR (δ, ppm; J, Hz): 8.03-7.97 (2C-H arom, mult), 7.17-7.09 (2C-H arom, mult), 3.68 (CH2, t, J = 6.2), 3.15 (CH2, t, J = 7.0), 2.22 (CH2, tt, J = 7.0, 6.2). 13C NMR (δ, ppm; J, Hz): 197.3 (C=O), 166.1 (C, d, J 1 C-F = 254.7), 133.2 (C, d, J 4 C-F = 4.3), 130.6 (2CH, d, J 3 C-F = 9.3), 115.9 (2CH, d, J 2 C-F = 22.2), 44.6 (CH2), 35.2 (CH2), 26.7 (CH2).
4-Chloro-4'-fluorobutyrophenone Preparation Products And Raw materials
Supplier | Tel | Country | ProdList | Advantage | |
---|---|---|---|---|---|
Shanghai Famo Biotech Co Ltd | +86-36680037 +86-18550473860 | mayan@famobiotech.com;sales@famobiotech.com | China | 528 | 58 |
Shaanxi Dideu Medichem Co. Ltd | +86-029-81138252 +86-18789408387 | 1057@dideu.com | China | 3958 | 58 |
Dorne Chemical Technology co. LTD | +86-86-13583358881 +8618560316533 | Ethan@dornechem.com | China | 3095 | 58 |
Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | info@fdachem.com | China | 20287 | 58 |
Capot Chemical Co.,Ltd. | +86-(0)57185586718 +86-13336195806 | sales@capot.com | China | 29791 | 60 |
Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | info@dakenam.com | China | 18779 | 58 |
Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21634 | 55 |
Nanjing ChemLin Chemical Industry Co., Ltd. | 025-83697070 | product@chemlin.com.cn | CHINA | 3009 | 60 |
Zjartschem | +86-571 87238903 | jocelynpan@zjarts.com | CHINA | 988 | 58 |
career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29884 | 58 |
View Lastest Price from 4-Chloro-4'-fluorobutyrophenone manufacturers
Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
---|---|---|---|---|---|---|---|---|
2024-11-22 | 4-Chloro-4'-fluorobutyrophenone
3874-54-2
|
US $10.00 / ASSAYS | 1ASSAYS | 99% | 10 ton | Dorne Chemical Technology co. LTD | ||
2024-08-14 | 4-Chloro-4'-fluorobutyrophenone
3874-54-2
|
US $1.00 / KG | 1KG | 99% | 20T | Shaanxi Dideu Medichem Co. Ltd | ||
2024-07-06 | 4-Chloro-4'-fluorobutyrophenone
3874-54-2
|
US $0.00 / kg | 1kg | 0.99 | 10T | Shandong Hanjiang Chemical Co., Ltd |
- 4-Chloro-4'-fluorobutyrophenone
3874-54-2
- US $10.00 / ASSAYS
- 99%
- Dorne Chemical Technology co. LTD
- 4-Chloro-4'-fluorobutyrophenone
3874-54-2
- US $1.00 / KG
- 99%
- Shaanxi Dideu Medichem Co. Ltd
- 4-Chloro-4'-fluorobutyrophenone
3874-54-2
- US $0.00 / kg
- 0.99
- Shandong Hanjiang Chemical Co., Ltd
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