3-(Cyanomethyl)benzonitrile

Basic Information

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CAS Number

16532-78-8

Molecular Formula

C9H6N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

83-84 ºC

SMILES

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

InChI

InChI=1S/C9H6N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4H2

InChIKey

OQKZSMMMKYJQJP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

214

Synonyms & References

English

3-(Cyanomethyl)benzonitrile #
A882399
16532-78-8
FT-0764109
F79713
EN300-49114
AMY32292
3-Cyanomethylbenzonitrile; m-Cyanophenylacetonitrile
3-Cyanobenzeneacetonitrile
3-Cyanbenzylcyanide
MFCD00060301
3-Cyanophenylacetonitrile
SCHEMBL3063453
TS-7252
Z285131398
AB01002644-01
CS-0447739
DTXSID80333949
Benzeneacetonitrile, 3-cyano-
AKOS000156406
3-Cyanomethylbenzonitrile
3-Cyanomethyl-benzonitrile
3-Cyanobenzylcyanide
3-(cyanomethyl) benzonitrile
3-(Cyanomethyl)benzonitrile
Acetonitrile, 2-(3-cyanophenyl)-
m-Cyanophenylacetonitrile
3-CYANOPHENYLACETONITRILE

MDL Number

MFCD00060301

FAQ

What regulatory guidelines apply to 3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8)?

3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8) falls under the scope of GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for health and environmental hazards. It is also regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the EU, and is subject to FDA and EPA regulations for its use in pharmaceutical and industrial applications. Ensure compliance with local and international regulations for its handling and disposal.

Are there alternatives to 3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8) in synthesis?

Yes, there are alternatives to 3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8) in synthesis, such as 2-(Cyanomethyl)benzonitrile and 4-(Cyanomethyl)benzonitrile. Other substitutes include isocyanates and other nitriles that can serve similar functional groups in reactions. Carefully consider the reactivity and selectivity of these alternatives based on the specific synthetic routes and desired products.

What is the market or research trend for 3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8)?

The market for 3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8) reflects growing interest in its use as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Research trends highlight its application in developing new drug candidates and crop protection products. The demand is expected to increase due to its versatile chemical properties and growing demand in the pharmaceutical and agricultural industries.

How should waste containing 3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8) be handled?

Waste containing 3-(Cyanomethyl)benzonitrile (CAS: 16532-78-8) should be collected in suitable containers and stored in a well-ventilated, secure area. Incineration or professional waste disposal services are recommended for safe disposal. Follow local environmental protection regulations to ensure compliance. Implement proper personal protective equipment (PPE) and safety measures to prevent exposure and environmental contamination.