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
- MOL File:
- 3874-54-2.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/9/2 11:34:00
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) |
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 |
|
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 |
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 | Inquiry |
---|---|---|---|---|---|
BTC pharm India | +918790379245 | AndhraPradesh, India | 1269 | 58 | Inquiry |
Firmus Laboratories Pvt Ltd | +918008045456 | Hyderabad, India | 41 | 58 | Inquiry |
3A Chemie Private Limited | +91-91-712-2564285 +91-9766589212 | Maharashtra, India | 57 | 58 | Inquiry |
VASUDHA PHARMA CHEM LIMITED | +91-91-4044763666 +91-9396659284 | Telangana, India | 102 | 58 | Inquiry |
A.R. LIFE SCIENCES PVT. LTD. | +91-914040267679 +91-8519993257 | Hyderabad, India | 100 | 58 | Inquiry |
GSV speciality chemicals | +91-91823634932 +91-91823634932 | Hyderabad, India | 135 | 58 | Inquiry |
Sadasivarao g | +91 9515157878 | Hyderabad, India | 107 | 58 | Inquiry |
MOLECRAFT LIFE SCIENCES PVT LTD | +91 9581188881 | Telangana, India | 189 | 58 | Inquiry |
SYNARTIS PHARMA PVT LTD | +919949688280 | Hyderabad, India | 92 | 58 | Inquiry |
V AND V PHARMA INDUSTRIES | +91 9773615371 | Maharashtra, India | 57 | 58 | Inquiry |
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