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99-91-2

99-91-2 structural image
Product Name: 4'-Chloroacetophenone
Formula: C8H7ClO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; [Merck Index] Colorless liquid; [MSDSonline]
Color/Form LIQUID
Boiling Point 237 °C
Melting Point 20-21 °C
Solubility PRACTICALLY INSOL IN WATER; MISCIBLE WITH ALC, ETHER
Density 1.1922 @ 20 °C/4 °C
Vapor Pressure 0.12 [mmHg]
LogP log Kow= 2.32 (experimental)
Refractive Index INDEX OF REFRACTION: 1.5550 @ 20 °C/D
Kovats Retention Index 1204
Chemical Classes Other Classes -> Aromatic Ketones, Halogenated

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 154.59 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 154.0185425 g/mol
Monoisotopic Mass 154.0185425 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 125
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

P-Chloroacetophenone is a lachrymatory agent. It produces immediate pain to the eyes and irritate mucous membranes. This compound belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.

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