2-(Chloromethyl)benzonitrile

Basic Information

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CAS Number

612-13-5

Molecular Formula

C8H6ClN

Molecular Weight

140.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

59.0 to 63.0 deg-C

Boiling Point

252°C

Density

1.1976 (rough estimate)

Flash Point

106.2℃

Refractive Index

1.5437 (estimate)

SMILES

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

InChI

InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2

InChIKey

ZSHNOXOGXHXLAV-UHFFFAOYSA-N

LogP

2.7338200000000006

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

147

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

AKOS000294855
XEH7PYD76C
HMS1410P19
2-Chloromethyl-benzonitrile
WLN: NCR B1G
NSC 102157
MFCD00019745
.alpha.-Chloro-o-tolunitrile
2-Chloromethylbenzonitrile
o-cyanobenzyl chloride
Benzonitrile, 2-(chloromethyl)-
EINECS 210-292-3
612-13-5
o-(Chloromethyl)benzonitrile
Enamine_005981
NCIOpen2_001754
IDI1_008216
2-Cyanobenzyl chloride
AS-10818
SB37924
o-Tolunitrile, .alpha.-chloro-
NSC102157
AM101019
DTXSID70210098
UNII-XEH7PYD76C
2-Cyanobenzylchloride
AC-907/25004765
alpha-Chloro-o-tolunitrile
o-Cyanobenzylchloride
Benzonitrile, 2-(chloromethyl)- (9CI)
EN300-12687

MDL Number

MFCD00019745

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-(Chloromethyl)benzonitrile (CAS: 612-13-5)?

2-(Chloromethyl)benzonitrile (CAS: 612-13-5) falls under the categories of hazardous chemicals as defined by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). Regulatory guidelines include classification as a toxic substance, requiring appropriate labeling, and handling according to REACH regulations in the European Union. In the U.S., FDA and EPA may have specific regulations concerning its use and disposal in pharmaceutical and industrial applications.

Are there alternatives to 2-(Chloromethyl)benzonitrile (CAS: 612-13-5) in synthesis?

Alternatives to 2-(Chloromethyl)benzonitrile (CAS: 612-13-5) in synthesis include other nitrile compounds such as acrylonitrile or benzonitrile itself. Isomers and analogs like 3-chlorobenzonitrile can also be considered. Common substitute reagents include chloroacetophenone or chloroacetyl chloride, depending on the specific reaction requirements and desired product structure.

What is the market or research trend for 2-(Chloromethyl)benzonitrile (CAS: 612-13-5)?

Market trends for 2-(Chloromethyl)benzonitrile (CAS: 612-13-5) are driven by its applications in the pharmaceutical and polymer industries. Research trends focus on its use as a precursor in the synthesis of various compounds, particularly in the development of new drug candidates and functional polymers. Recent studies highlight its utility in targeted drug delivery systems and as a monomer in the production of specialized coatings and adhesives.

How should waste containing 2-(Chloromethyl)benzonitrile (CAS: 612-13-5) be handled?

Waste containing 2-(Chloromethyl)benzonitrile (CAS: 612-13-5) should be collected in appropriate containers and disposed of by incineration or professional waste disposal services. Environmental protection precautions include ensuring proper containment to prevent spillage and the use of personal protective equipment. Disposal should follow local and national environmental regulations, and the waste should be neutralized if necessary before disposal to mitigate environmental impact.