2-(4-Chlorophenyl)-3-methylbutanenitrile | CAS No. 2012-81-9

2-(4-Chlorophenyl)-3-methylbutanenitrile

Basic Information

CAS Number

2012-81-9

Molecular Formula

C11H12ClN

Molecular Weight

193.67 g/mol

AD

Basic Physical Properties

Boiling Point

317.7°C (rough estimate)

Flash Point

107.2°C

Refractive Index

1.6100 (estimate)

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

InChI

InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3

InChIKey

RBGSZIRWNWQDOK-UHFFFAOYSA-N

LogP

3.60318

Complexity

195

Synonyms & References

English

  • SCHEMBL2920989
  • BENZENEACETONITRILE, 4-CHLORO-.ALPHA.-(1-METHYLE
  • 2-(4-Chlorophenyl)-3-methylbutanenitrile #
  • AKOS006272614
  • RBGSZIRWNWQDOK-UHFFFAOYSA-
  • 2-(4-Chlorophenyl)-3-methylbutyronitrile
  • 2012-81-9
  • NS00045738
  • Benzeneacetonitrile, 4-chloro-.alpha.-(1-methylethyl)-
  • 2-(4-Chlorophenyl)-3-methylbutanenitrile
  • DTXSID70874179
  • EN300-211953
  • Benzeneacetonitrile, 4-chloro-alpha-(1-methylethyl)-
  • CAA01281
  • alpha-Isopropyl-p-chlorophenylacetonitrile
  • 4-Chloro-alpha-isopropylbenzyl cyanide
  • InChI=1/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3
  • EINECS 217-935-7
  • FT-0694403
  • 2-(p-Chlorophenyl)-3-methylbutyronitrile
  • Z1198148456
  • 2-(P-CHLOROPHENYL)-3-METHYLBUTYRONITRILE
  • 2-(4-CHLOROPHENYL)-3-METHYLBUTYRONITRILE
  • ALPHA-ISOPROPYL-4-CHLOROPHENYLACETONITRILE
  • CPIN
  • 4-Chloro-(1-methylethyl)benzene-acetonitrile
  • 4-chloro-a-(1-methylethyl)benzeneacetonitrile
  • 4-chloro-alpha-(1-methylethyl)-benzeneacetonitril
  • 4-Chlorophenyl-alpha-isopropyl acetonitrile
  • A-ISOPROPYL-4-CHLOROPHENYLACETONITRILE
  • 4-CHLORO-ALPHA-(1-METHYLETHYL)BENZENEACETONITRILE

MDL Number

MFCD00043690

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9)?

2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9) is subject to GHS classification, which includes health, environmental, and physical hazard categories. It must comply with REACH regulations for chemical safety, including registration, evaluation, and authorization. FDA and EPA have specific requirements for the handling and disposal of this compound, particularly regarding its potential impact on human health and the environment.

Are there alternatives to 2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9) in synthesis?

Several alternatives can be considered in the synthesis of 2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9). Analogues such as 2-(3-chlorophenyl)-3-methylbutanenitrile or isomers like 3-(4-chlorophenyl)-2-methylbutanenitrile are viable. Common alternative reagents include 4-chlorobenzonitrile and methyl-3-iodobutanoate, which can provide similar functionality with potentially easier synthesis processes.

What is the market or research trend for 2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9)?

The market for 2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9) reflects increasing research interest in its potential applications in pharmaceuticals and materials science. Recent studies focus on its use as an intermediate in drug synthesis and as a monomer in polymer chemistry. Market trends indicate growing demand, driven by advancements in synthetic methodologies and environmental concerns prompting the exploration of greener alternatives.

How should waste containing 2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9) be handled?

Waste containing 2-(4-Chlorophenyl)-3-methylbutanenitrile (CAS: 2012-81-9) should be collected in appropriate containers and stored in a well-ventilated area away from heat and ignition sources. It should be disposed of through incineration or professional waste disposal services that comply with local environmental regulations. Precautions include proper personal protective equipment and thorough documentation of the disposal process to ensure safety and regulatory compliance.

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