(4-Ethynylphenyl)acetonitrile

Basic Information

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CAS Number

351002-90-9

Molecular Formula

C10H7N

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

259 ºC

Water Solubility

Slightly soluble in water.

Flash Point

111 ºC

Refractive Index

n20/D 1.5630(lit.)

SMILES

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C#Cc1ccc(CC#N)cc1

InChI

InChI=1S/C10H7N/c1-2-9-3-5-10(6-4-9)7-8-11/h1,3-6H,7H2

InChIKey

CZUBOLAETAAHLA-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

204

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-Ethynylphenylacetonitrile
(4-Ethynylphenyl)acetonitrile
Benzeneacetonitrile,4-ethynyl
4-Ethynylbenzeneacetonitrile
2-(4-ethynylphenyl)acetonitrile
Benzeneacetonitrile, 4-ethynyl-
4-Ethynyl-benzeneacetonitrile
KSC497S1L
CZUBOLAETAAHLA-UHFFFAOYSA-N
TRA0097871
FCH1120366
ST2411400
AX8208892
AB0024401
W5671

MDL Number

MFCD05664204

Customs Code

2926909090

FAQ

What is (4-Ethynylphenyl)acetonitrile (CAS: 351002-90-9)?

(4-Ethynylphenyl)acetonitrile is a colorless to light yellow liquid with a molecular formula of C9H7N2. It has a pungent odor and is used in various industrial and research applications. It is soluble in water and organic solvents.

What are the main uses of (4-Ethynylphenyl)acetonitrile (CAS: 351002-90-9)?

(4-Ethynylphenyl)acetonitrile is primarily used as a precursor in pharmaceutical synthesis and organic chemistry research. It also finds application in the production of dyes and other organic compounds.

Is (4-Ethynylphenyl)acetonitrile (CAS: 351002-90-9) safe?

(4-Ethynylphenyl)acetonitrile is generally safe when handled with appropriate precautions. It is toxic and should be used in a well-ventilated area. Protective measures such as gloves and goggles are recommended to prevent skin and eye contact. It is also important to avoid inhalation of the vapors.

How should (4-Ethynylphenyl)acetonitrile (CAS: 351002-90-9) be stored?

(4-Ethynylphenyl)acetonitrile should be stored in a cool, dry, and well-ventilated place, away from direct sunlight and heat sources. It should be stored in a tightly sealed container to prevent evaporation and contamination. Avoid contact with incompatible materials such as oxidizers and strong acids. Proper disposal methods should be followed to avoid environmental contamination.