1-(Chloromethyl)-3-(trifluoromethyl)benzene

Basic Information

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CAS Number

705-29-3

Molecular Formula

C8H6ClF3

Molecular Weight

194.58 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

70°C/12mmHg

Density

1.254 g/mL at 25 °C

Refractive Index

n20/D 1.464(lit.)

SMILES

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C1=CC(=CC(=C1)C(F)(F)F)CCl

InChI

InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

InChIKey

XGASTRVQNVVYIZ-UHFFFAOYSA-N

LogP

3.4442000000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

144

Safety Information

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GHS Hazard Pictograms

H226

H314

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

NS00042012
XGASTRVQNVVYIZ-UHFFFAOYSA-
alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene
m-Trifluoromethylbenzyl chloride
m-Xylene, .alpha.'-chloro-.alpha.,.alpha.,.alpha.-trifluoro-
SCHEMBL121048
alpha-Chloro-alpha',alpha',alpha'-trifluoro-m-xylene
3-chloromethyl benzotrifluoride
AKOS000120902
NSC5227
FT-0613938
.alpha.'-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-xylene
EINECS 211-884-4
3-(Trifluoromethyl)benzyl chloride
InChI=1/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
SY017828
3-trifluoromethyl benzyl chloride
A22554
alpha,alpha,alpha-Trifluoro-alpha'-chloro-m-xylene
m-Xylene,.alpha.,.alpha.-trifluoro-
m-Xylene, alpha'-chloro-alpha,alpha,alpha-trifluoro-
XG8S4F46BH
705-29-3
MFCD00000908
3-Chloromethylbenzotrifluoride
1-chloromethyl-3-trifluoromethyl-benzene
3-trifluoromethylbenzylchloride
1-(Chloromethyl)-3-(trifluoromethyl)benzene
alpha-Chloro-3-trifluoromethyltoluene
3-(triflouromethyl)benzyl chloride
3-Trifiuoromethylbenzylchloride

MDL Number

MFCD00000908

Customs Code

29036990

FAQ

What regulatory guidelines apply to 1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3)?

1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which requires specific hazard communication labels and safety data sheets. It is also regulated under the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) in the European Union, which may require manufacturers and importers to register the substance with the European Chemicals Agency (ECHA). Additionally, the U.S. Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) may have specific regulations concerning its handling and use.

Are there alternatives to 1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3) in synthesis?

There are alternative compounds that can be used in synthesis as substitutes for 1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3). For example, 1-(Bromomethyl)-3-(trifluoromethyl)benzene or 1-(Iodomethyl)-3-(trifluoromethyl)benzene can serve similar purposes in certain reactions. These alternatives may vary in reactivity and specificity, so careful consideration of the specific reaction conditions is necessary.

What is the market or research trend for 1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3)?

The market for 1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3) is currently stable, with steady demand from the pharmaceutical and chemical industries. Research trends suggest an increasing interest in its applications in medicinal chemistry, particularly for the development of new drugs. Additionally, there is growing interest in exploring its potential as a building block for more complex molecules, driven by advancements in synthetic chemistry.

How should waste containing 1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3) be handled?

Waste containing 1-(Chloromethyl)-3-(trifluoromethyl)benzene (CAS: 705-29-3) should be collected in appropriate leak-proof containers and stored in a well-ventilated area away from incompatible materials. The waste should be disposed of in accordance with local, state, and federal regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with environmental protection precautions and to safely handle the waste. Always consult the latest safety data sheet (SDS) for specific disposal instructions and precautions.