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4-Chloro-4'-fluorobutyrophenone

4-Chloro-4'-fluorobutyrophenone Structure
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
MOL File:
3874-54-2.mol
MSDS File:
SDS
Modify Date:
2024/9/2 11:34:00

4-Chloro-4'-fluorobutyrophenone Properties

Melting point 5-6 °C
Boiling point 130-132 °C (0.97513 mmHg)
Density 1.22 g/mL at 25 °C(lit.)
refractive index n20/D 1.5255(lit.)
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)
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
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
1
2 0

4-Chloro-4'-fluorobutyrophenone price More Price(3)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) C43609 4-Chloro-4′-fluorobutyrophenone 97% 3874-54-2 25G ₹3810.4 2022-06-14 Buy
Sigma-Aldrich(India) C43609 4-Chloro-4′-fluorobutyrophenone 97% 3874-54-2 100G ₹9753.33 2022-06-14 Buy
TCI Chemicals (India) C1294 4-Chloro-4'-fluorobutyrophenone min. 97.0 % 3874-54-2 25G ₹2000 2022-05-26 Buy
Product number Packaging Price Buy
C43609 25G ₹3810.4 Buy
C43609 100G ₹9753.33 Buy
C1294 25G ₹2000 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 synthesis

4-Chloro-4'-fluorobutyrophenone Preparation Products And Raw materials

Raw materials

Preparation Products

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3-CHLOROPROPYL4-FLUOROPHENYLKETONE/4-CHLORO-4''-FLUOROBUTYROPHENONE 1-Butanone, 4-chloro-1-(4-fluorophenyl)- 1-(4-Fluorophenyl)-4-chloro-1-butanone γ-Chloro-4'-fluorobutyrophenone ω-Chloro-4'-fluorobutyrophenone Chloro-4'-fluorobutyrophe 4-Chloro-4'-fluorobu 4-chloro-4-fluorophenyl ketone 1-Chloro-4-(4-fluorophenyl)-4-oxobutane 3-(4-Fluorophenylcarbonyl)-1-chloropropane NSC 87082 4-Chloro-4'-fluoro-butyrophenone (OR) 3-(4-Fluorobenzoyl)propyl chloride 3-(p-Fluorobenzoyl)propyl chloride GAMMA-CHLORO-4-FLUOROBUTYROPHENONE GAMMA-CHLORO-P-FLUOROBUTYROPHENONE G-CHLORO-P-FLUOROBUTYROPHENONE AKOS BBS-00006481 4-CHLORO-1-(4-FLUOROPHENYL)-1-BUTANONE 4-CHLORO-1-(4-FLUOROPHENYL)-1-OXOBUTANE 4-CHLORO-4'-FLUOROBUTYROPHENONE 3-CHLOROPROPYL 4-FLUOROPHENYL KETONE TIMTEC-BB SBB003536 3-Chloro-4'-fluorobutyrophenone 4-(4-Fluorophenyl)-4-oxobutyl chloride 4-(p-Fluorophenyl)-4-oxobutyl chloride 4-chloro-1-(4-fluorophenyl)-1-butanon 4-Chloro-p-fluorobutyrophenone 4-Fluorobenzoylpropyl chloride Butyrophenone, 4-chloro-4'-fluoro- omega-Chloro-4-fluorobutyrophenone omega-Chloro-p-fluorobutyrophenone p-Fluoro-4-chlorobutyrophenone p-Fluorobenzoylpropyl chloride p-Fluoro-gamma-chlorobutyrophenone p-Fluoro-omega-chlorobutyrophenone Chloropfluorobutyrophenone OMEGA-CHLORO-4-FLUOROBUTYROPHENONE 97& 4-Chloro-4'-fluorobutyrophenone 97% 4-Chloro-4'-fluorobutyrophenone97% 4-CHLORO-4"-FLUOROBURYROPHENONE LUMAT-009 4-Cloro-4'-fluorobutirrofenone 4-CHLORO-4'-FLUOROBUTYROPHENONE BATCH NO: CFKT-10923/0319/FP/001 4-Chloro-4’-fluoro-butyrophenone (OR) 3-Chloropropyl-4-fluorophenyl ketone JACS-3874-54-2 4-Chloro-4'-fluorobutyrophenone > uorobutyrophenone Haloperidol Impurity 1 Haloperidol Decanoate Impurity 17 99% Purity 4-Chloro-4'-fluorobutyrophenone High Quality 4-Chloro-4'-fluorobutyrophenone 4-chloro-4 '-flubutanone 4-Chloro-4'Fluorobutyrophenone (FBP) 4-Chloro-4'-fluoroacetophenone 4-CHLORO-4-FLUOROBUTYROPHENONE Azaperone,Droperidol, Haloperidole,Timiperone 4-Chloro-4'-fluorobutyrophenone