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4-Chloro-4'-fluorobutyrophenone

4-Chloro-4'-fluorobutyrophenone structure

CAS No:
3874-54-2
Formula:
C10H10ClFO
Chemical Name:
4-Chloro-4'-fluorobutyrophenone
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
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

slightly yellow-greenish clear oil

4-Chloro-4'-fluorobutyrophenone Basic Attributes

Molecular Weight：

200.64

Exact Mass：

200.64

BRN：

608741

EC Number：

223-395-3

UNII：

FVL03C7JRR

NSC Number：

87082

TSCA：

TSCA listed

DSSTox ID：

DTXSID3057729

Color/Form：

Slightly yellow-greenish clear

HScode：

2914790090

Characteristics

PSA：

17.1

XLogP3：

2.6

Appearance：

Yellow or light yellow liquid.

Density：

1.22 g/mL at 25 °C(lit.)

Melting Point：

5-6 °C

Boiling Point：

130-132 °C (0.97513 mmHg)

Flash Point：

134.7±21.8 °C

Refractive Index：

n20/D1.5255(lit.)

Water Solubility：

0.38 g/L (20 ºC)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

PH：

4.05 at 23.1℃ and 10g/L

Critical Temperature & Pressure：

Inert atmosphere,Room Temperature

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Xn,Xi

safety instructions：

24/25-36-26

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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

Hazard Statements：

22-36/37/38-20/21/22

GHS Classification：

|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

Uses

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.

Manufacturing Info：

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

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Latest News on 4-Chloro-4'-fluorobutyrophenone

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Guide of 4-Chloro-4'-fluorobutyrophenone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

4-Chloro-4'-fluorobutyrophenone

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