4-Ethynylbenzonitrile

Basic Information

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CAS Number

3032-92-6

Molecular Formula

C9H5N

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

156-160 °C

Boiling Point

230.2±23.0 ºC (760 Torr),

Water Solubility

Slightly soluble in water.

Flash Point

92.9±15.1 ºC,

Refractive Index

1.566

SMILES

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C#CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H

InChIKey

LAGNMUUUMQJXBF-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

191

Safety Information

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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

Synonyms & References

English

DTXSID20404122
CS-W007419
4-ETHYNYLBENZONITRILE97
J-017912
3032-92-6
GS-4324
AM20060603
MFCD04974058
EN300-110379
4-Ethynyl-Bezonitrile
4-cyano phenylacetylene
Benzonitrile, 4-ethynyl-
4-Cyanophenylacetylene
4-Ethynylbenzonitrile
4-Ethynylbenzonitrile 97
BCP18853
FT-0659453
Z1069202674
AKOS015836148
doi:10.14272/LAGNMUUUMQJXBF-UHFFFAOYSA-N.1
p-cyanophenylacetylene
SY021679
A820324
4-Ethynylbenzonitrile, 97%
AC-18651
4-Ethynyl-benzonitrile
LAGNMUUUMQJXBF-UHFFFAOYSA-N
SCHEMBL853731
4-ETHYNYLBENZONITRILE 97
4-ETHYNYLBENZONITRILE 97
Benzonitrile,4-ethynyl-

MDL Number

MFCD04974058

Customs Code

2926909090

FAQ

What is 4-Ethynylbenzonitrile (CAS: 3032-92-6)?

4-Ethynylbenzonitrile is an organic compound with the chemical formula C₁₀H₈N. It is a colorless liquid with a characteristic odor. The compound is used in various applications, including pharmaceuticals, dyes, and synthesis of other organic compounds.

What are the main uses of 4-Ethynylbenzonitrile (CAS: 3032-92-6)?

4-Ethynylbenzonitrile is primarily used in the pharmaceutical industry for intermediate synthesis, dyes production, and as a reagent in organic synthesis due to its functional groups that facilitate chemical reactions.

Is 4-Ethynylbenzonitrile (CAS: 3032-92-6) safe?

4-Ethynylbenzonitrile can be handled safely with basic precautions. It is flammable and requires proper ventilation. Direct contact with skin and eyes should be avoided. Use appropriate personal protective equipment (PPE) such as gloves and safety glasses.

How should 4-Ethynylbenzonitrile (CAS: 3032-92-6) be stored?

4-Ethynylbenzonitrile should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent evaporation and contamination. Store it at room temperature or below, but not below 15°C to maintain its stability.