2-Chloro-4-(trifluoromethyl)benzonitrile

Basic Information

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CAS Number

1813-33-8

Molecular Formula

C8H3ClF3N

Molecular Weight

205.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

82-83°C/8mm

Boiling Point

97°C/13mmHg

Refractive Index

n20/D 1.4840(lit.)

SMILES

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C1=CC(=C(C=C1C(F)(F)F)Cl)C#N

InChI

InChI=1S/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H

InChIKey

GEHMLBFNZKJDQM-UHFFFAOYSA-N

LogP

3.23048

Complexity

229

Safety Information

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GHS Hazard Pictograms

H311

H302

H332

H315

H319

Hazard Statement

H311 Toxic in contact with skin
Acute toxicity, dermal

H302 Harmful if swallowed
Acute toxicity, oral

H332 Harmful if inhaled
Acute toxicity, inhalation

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

C2599
EN300-316339
SY022617
AKOS005063451
DTXSID40371387
MFCD00084939
2-chloro-4-trifluoromethyl-benzonitrile
3-Chloro-4-cyanobenzotrifluoride
2-Chloro-4-(trifluoromethyl)benzonitrile
2-Chloro-4-trifluoromethylbenzonitrile
AM61379
2-chloro-4-(trifluoromethyl)-benzonitrile
AC-4054
SCHEMBL952338
Benzonitrile, 2-chloro-4-(trifluoromethyl)-
PS-8096
4-(trifluoromethyl)-2-chlorobenzonitrile
FT-0615377
3-Chloro-4-cyano-benzotrifluoride
A4020
CS-W015360
1813-33-8
2-Chloro-4-(trifluoromethyl)benzonitrile, 97%
3-chloro-4-cyanobenzotrifluoride
2-Chlor-4-trifluormethyl-benzonitril
2-chloro-4-trifluoromethyl-benzonitril
2-chloro-4-(trifluoromethyl)benzonitrile

MDL Number

MFCD00084939

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 2-Chloro-4-(trifluoromethyl)benzonitrile (CAS: 1813-33-8)?

2-Chloro-4-(trifluoromethyl)benzonitrile (CAS: 1813-33-8) is subject to regulatory guidelines under GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for hazard communication. It is also regulated by REACH in the European Union, requiring registration if manufactured or imported in quantities above 1 tonne per year. FDA and EPA may have specific requirements for its use in pharmaceuticals and pesticides, respectively.

Are there alternatives to 2-Chloro-4-(trifluoromethyl)benzonitrile (CAS: 1813-33-8) in synthesis?

There are alternative reagents that can be used in synthesis, such as 2-Bromo-4-(trifluoromethyl)benzonitrile or 2-Iodo-4-(trifluoromethyl)benzonitrile, which can serve as precursors in similar reactions. However, the choice of alternative depends on the specific reaction conditions and desired end product.

What is the market or research trend for 2-Chloro-4-(trifluoromethyl)benzonitrile (CAS: 1813-33-8)?

The market and research trends for 2-Chloro-4-(trifluoromethyl)benzonitrile (CAS: 1813-33-8) are currently focused on its use in pharmaceutical intermediates and as a key building block for the synthesis of new drugs. There is ongoing research into its potential use in materials science, particularly in the development of flame-retardant polymers and electronic materials.

How should waste containing 2-Chloro-4-(trifluoromethyl)benzonitrile (CAS: 1813-33-8) be handled?

Waste containing 2-Chloro-4-(trifluoromethyl)benzonitrile (CAS: 1813-33-8) should be collected in a sealed, leak-proof container and disposed of according to local and national regulations. Incineration is a common method for disposal, but professional waste disposal services should be utilized to ensure compliance with environmental protection standards. Proper labeling and documentation of the waste are also essential for safe handling and disposal.