4-Chloro-4'-fluorobutyrophenone
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4-Chloro-4'-fluorobutyrophenone
structure -
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CAS No:
3874-54-2
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Formula:
C10H10ClFO
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Chemical Name:
4-Chloro-4'-fluorobutyrophenone
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Synonyms:
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
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CAS No:
4-Chloro-4'-fluorobutyrophenone Basic Attributes
200.64
200.64
608741
223-395-3
FVL03C7JRR
87082
TSCA listed
DTXSID3057729
Slightly yellow-greenish clear
2914790090
Characteristics
17.1
2.6
Yellow or light yellow liquid.
1.22 g/mL at 25 °C(lit.)
5-6 °C
130-132 °C (0.97513 mmHg)
134.7±21.8 °C
n20/D1.5255(lit.)
0.38 g/L (20 ºC)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
4.05 at 23.1℃ and 10g/L
Inert atmosphere,Room Temperature
Safety Information
NONH for all modes of transport
3
Xn,Xi
24/25-36-26
Xn:Harmful;
Stable under normal temperatures and pressures.
P201, P202, P210, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501
22-36/37/38-20/21/22
|Warning|H227 (45.45%): Combustible liquid [Warning Flammable liquids]|P201, P202, P210, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 25 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chloro-4'-fluorobutyrophenone Use and Manufacturing
4-Chloro-4''-fluorobutyrophenone (cas# 3874-54-2) is a compound useful in organic synthesis.
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.
1-Butanone, 4-chloro-1-(4-fluorophenyl)-: ACTIVE
Computed Properties
Molecular Weight:200.64
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:200.0404208
Monoisotopic Mass:200.0404208
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Chloro-4'-fluorobutyrophenone
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