3-(4-Chlorophenyl)-3-oxopropanenitrile

Basic Information

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CAS Number

4640-66-8

Molecular Formula

C9H6ClNO

Molecular Weight

168.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

128°C

Flash Point

165.1℃

Solubility

Soluble in Dichloromethane, Ether, Ethyl Acetate and Methanol

Refractive Index

1.422-1.424

SMILES

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C1=CC(=CC=C1C(=O)CC#N)Cl

InChI

InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2

InChIKey

JYOUFPNYTOFCSJ-UHFFFAOYSA-N

LogP

2.9327000000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

210

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

BP-12419
(4-Chlorobenzoyl)acetonitrile
SY011839
J-510680
FE-0729
CL8863
4-Chlorobenzoylacetonitrile
AKOS000206982
DTXSID40196835
Benzenepropanenitrile, 4-chloro-beta-oxo-
3-(4-chlorophenyl)-3-oxopropanenitrile
CS-M2755
FT-0604209
4-CHLOROBENZOYLACETONITIRLE
4640-66-8
Benzenepropanenitrile, 4-chloro-b-oxo-
Cambridge id 5106731
4-Chlorobenzoylacetonitrile, 97%
MUPIROCINCALCIUM,REFERENCESPECTRUMEPSTANDARD
BCP07748
3-(4-chlorophenyl)-3-oxo-propionitrile
C2582
AM1016
4-Chlorophenacylcyanide
4'-Chloro-2-cyanoacetophenone
EX-A3866
EN300-06626
3-(4-chlorophenyl)-3-oxopropanenitrile/4-Chlorophenacylcyanide
AC-28515
MFCD00051625
Maybridge1_004509

MDL Number

MFCD00051625

Customs Code

2926909090

FAQ

What is 3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8)?

3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8) is a chemical compound with the molecular formula C9H7ClNO. This compound is a colorless to white crystalline solid with a distinctive odor. It is used in various applications such as pharmaceuticals and research due to its specific chemical properties.

What are the main uses of 3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8)?

3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8) is primarily used in pharmaceuticals for developing drugs with specific biological activities. It is also utilized in research for its unique chemical properties, and in some industrial applications for synthesis of other compounds.

Is 3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8) safe?

3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8) can be handled with proper safety precautions. It is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) and ensuring the work area is well-ventilated. Proper storage and disposal methods should be adhered to for safe handling.

How should 3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8) be stored?

3-(4-Chlorophenyl)-3-oxopropanenitrile (CAS: 4640-66-8) should be stored in a cool, dry place, away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to maintain its stability. The temperature should not exceed 25°C, and humidity should be controlled to prevent degradation.