2-Chloro-4-fluoro-3-methylbenzonitrile

Basic Information

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CAS Number

796600-15-2

Molecular Formula

C8H5ClFN

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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CC1=C(C=CC(=C1Cl)C#N)F

InChI

InChI=1S/C8H5ClFN/c1-5-7(10)3-2-6(4-11)8(5)9/h2-3H,1H3

InChIKey

IOKBJSAKTZEMBR-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

186

Synonyms & References

English

CS-W004249
2-chloro-4-fluoro-3-methylbenzonitrile
AKOS005259165
FT-0649327
2-chloro-3-methyl-4-fluorobenzonitrile
Sodiumselenatedecahydrate
MFCD13193544
J-508732
2-chloro-4-fluoro-3-methyl-Benzonitrile
AM83044
A839730
796600-15-2
SCHEMBL220882
DS-0753
Benzonitrile, 2-chloro-4-fluoro-3-methyl-
CL8160
DTXSID00659310
IOKBJSAKTZEMBR-UHFFFAOYSA-N
2-Chloro-4-fluoro-3-methylbenzonitrile
PubChem18453
KSC375I2D
STL555275
RW3467
BBL101479
FCH1157407
RP23184
EN000093
AX8158600
DB-0

MDL Number

MFCD13193544

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2)?

2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2) falls under the scope of GHS (Globally Harmonized System of Classification and Labelling of Chemicals), particularly as a hazardous chemical due to its flammability and toxicity. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals). Additionally, FDA and EPA have specific requirements for its handling and disposal, including proper labeling and documentation.

Are there alternatives to 2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2) in synthesis?

Several alternatives to 2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2) exist in synthesis, including isomers such as 2-Chloro-3-fluoro-4-methylbenzonitrile, and other reagents like 4-Chloro-3-fluoro-2-methylbenzonitrile. These alternatives offer similar functional groups but with different substituents, providing flexibility in synthetic routes.

What is the market or research trend for 2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2)?

The market for 2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2) is driven by its applications in pharmaceuticals and agrochemicals due to its ability to act as a precursor in the synthesis of various active pharmaceutical ingredients (APIs). Research trends focus on exploring its potential in new drug development and optimizing synthetic methods to enhance yield and reduce environmental impact.

How should waste containing 2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2) be handled?

Waste containing 2-Chloro-4-fluoro-3-methylbenzonitrile (CAS: 796600-15-2) should be collected in appropriate containers and stored in a well-ventilated area. Proper incineration or professional waste disposal services are recommended. Ensure that all safety precautions are followed, including the use of protective gear, and that all waste is documented and disposed of according to local and international regulations.