4-chlorobenzoylacetonitirle

4-chlorobenzoylacetonitirle - Names and Identifiers

Name	4-Chlorobenzoylacetonitrile
Synonyms	4-Chlorophenacylcyanide p-Chlorophenacyl Cyanide p-chlorobenzoylacetonitrile 4-chlorobenzoylacetonitirle 4-Chlorobenzoylacetonitrile p-Chloro-2-cyanoacetophenone 4-Chlorophenyl cyanomethyl ketone 4-Chloro-β-oxo-benzenepropanenitrile 3-(4-Chlorphenyl)-3-oxopropanonitril 3-Oxo-3-(4-chlorophenyl)propionitrile 3-(4-Chlorophenyl)-3-oxopropanenitrile 3-(4-Chloro-phenyl)-3-oxo-propionitrile Benzenepropanenitrile, 4-chloro-beta-oxo-
CAS	4640-66-8
InChI	InChI=1/C9H6ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChIKey	JYOUFPNYTOFCSJ-UHFFFAOYSA-N

4-chlorobenzoylacetonitirle - Physico-chemical Properties

Molecular Formula	C9H6ClNO
Molar Mass	179.6
Density	1.2364 (rough estimate)
Melting Point	129-133°C(lit.)
Boling Point	349.3±22.0 °C(Predicted)
Flash Point	165.1°C
Solubility	Soluble in Dichloromethane, Ether, Ethyl Acetate and Methanol
Vapor Presure	4.75E-05mmHg at 25°C
Appearance	White-like solid
Color	White to Yellow to Orange
BRN	743368
pKa	7.37±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.422-1.424
MDL	MFCD00051625

4-chlorobenzoylacetonitirle - Risk and Safety

Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
UN IDs	3276
WGK Germany	3
HS Code	29269090
Hazard Class	IRRITANT, IRRITANT-H
Packing Group	III

4-chlorobenzoylacetonitirle - Introduction

The chemical formula is C9H6ClNO, which is an organic compound.

Nature:
is a white solid powder with a spicy smell. It has a melting point of about 66-70°C and a boiling point of 279-281°C. It is practically insoluble in water and soluble in most organic solvents such as ethanol, ether and dichloromethane.

Use:
It is often used as an intermediate in organic synthesis. It can be used to synthesize other aminobenzoyl-containing compounds, such as drugs, dyes, optical brighteners, etc. In addition, it also has applications in the field of materials science, such as for the preparation of polymer materials.

Preparation Method:
The usual method of preparing phosphonium is to obtain p-nitrobenzoylacetonitrile by the reaction of p-nitrobenzene and chloroacetyl chloride, and then to obtain it through reduction and chlorination.

Safety Information:
is an organic compound, should pay attention to its toxicity. During the operation, contact with skin and eyes should be avoided. Appropriate protective equipment such as gloves, glasses and protective clothing should be worn during handling. Avoid inhaling its dust or solution and ensure adequate ventilation. In case of accidental contact or inhalation, rinse immediately with water and seek medical help. When stored, it should be kept sealed and away from fire and oxidizing agents.

Last Update：2024-04-09 20:52:54