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(4-Fluorophenyl)acetone

(4-Fluorophenyl)acetone structure

CAS No:
459-03-0
Formula:
C9H9FO
Chemical Name:
(4-Fluorophenyl)acetone
Synonyms:
2-Propanone,1-(4-fluorophenyl)-;2-Propanone,1-(p-fluorophenyl)-;2-Propanone,(p-fluorophenyl)-;1-(4-Fluorophenyl)-2-propanone;p-Fluorobenzyl methyl ketone;(p-Fluorophenyl)acetone;(4-Fluorophenyl)acetone;4-Fluorobenzyl methyl ketone;3-(4-Fluorophenyl)-2-propanone;1-Acetonyl-4-fluorobenzene
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Description

clear yellow liquid

(4-Fluorophenyl)acetone Basic Attributes

Molecular Weight：

152.17

Exact Mass：

152.17

EC Number：

207-284-7

DSSTox ID：

DTXSID70196641

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

1.9

Appearance：

clear yellow liquid

Density：

1.107 g/cm³ @ Temp: 20 °C

Boiling Point：

108 °C @ Press: 18 Torr

Flash Point：

91.7±0.0 °C

Refractive Index：

1.489

Water Solubility：

insoluble

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.128mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

F: Flammable;Xi: Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

(4-Fluorophenyl)acetone Use and Manufacturing

4-Fluorophenylacetone is a haloarylacetone derivative used in a study of reversed enantiopreference of an ω-transaminase by a single-point mutation.

Computed Properties

Molecular Weight:152.16
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.063743068
Monoisotopic Mass:152.063743068
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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