1-(Dichloromethyl)-2-(trifluoromethyl)benzene

Basic Information

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CAS Number

707-72-2

Molecular Formula

C8H5Cl2F3

Molecular Weight

229.03 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-34.4

Boiling Point

71°C/11.3mmHg

Density

1.43

Flash Point

88 °C

Refractive Index

1.4800 to 1.4830

SMILES

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C1=CC=C(C(=C1)C(Cl)Cl)C(F)(F)F

InChI

InChI=1S/C8H5Cl2F3/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H

InChIKey

JIJFXGFHPXLJME-UHFFFAOYSA-N

LogP

4.1816

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

167

Safety Information

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GHS Hazard Pictograms

H227

H314

Hazard Statement

H227 Combustible liquid
Flammable liquids

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

AKOS026749750
SY017133
1-(Dichloromethyl)-2-(trifluoromethyl)benzene
Alpha',alpha'-dichloro-alpha,alpha,alpha-trifluoro-O-xylene
o-trifluoromethylbenzal chloride
JIJFXGFHPXLJME-UHFFFAOYSA-
MFCD00077613
Benzene,1-(dichloromethyl)-2-(trifluoromethyl)-
DTXSID80990950
NS00002094
SCHEMBL6564259
T1305
1-(Dichloromethyl)-2-(trifluoromethyl)benzene #
2-(Trifluoromethyl)benzal Chloride ,
InChI=1/C8H5Cl2F3/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H
707-72-2
o-trifluoromethylbenzalchloride
2-(Dichloromethyl)benzotrifluoride
N-BUTYL-N-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)AMINEHYDROCHLORIDE
2-(Trifluoromethyl)benzal Chloride
EC 615-161-8
JIJFXGFHPXLJME-UHFFFAOYSA-N
PC1303
SBB097377
VZ23360
FCH1321202
TL8006614

MDL Number

MFCD00077613

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-(Dichloromethyl)-2-(trifluoromethyl)benzene (CAS: 707-72-2)?

1-(Dichloromethyl)-2-(trifluoromethyl)benzene is a crystalline solid with a molecular weight of approximately 267.88 g/mol. It is slightly soluble in common organic solvents and has low reactivity under normal conditions. However, it is highly reactive towards nucleophiles due to the presence of the dichloromethyl and trifluoromethyl groups.

How is 1-(Dichloromethyl)-2-(trifluoromethyl)benzene (CAS: 707-72-2) typically synthesized?

1-(Dichloromethyl)-2-(trifluoromethyl)benzene is typically synthesized via a nucleophilic substitution reaction of 2-(trifluoromethyl)benzoyl chloride with methyl chlorosilane. The reaction is carried out in the presence of a Lewis acid catalyst like aluminum chloride to enhance the reactivity and yield of the product.

What industries use 1-(Dichloromethyl)-2-(trifluoromethyl)benzene (CAS: 707-72-2)?

1-(Dichloromethyl)-2-(trifluoromethyl)benzene is primarily used in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients. It is also utilized in the polymer industry for the modification of polymer properties and in semiconductor manufacturing for its use as a photoresist material.

What precautions should be taken when handling 1-(Dichloromethyl)-2-(trifluoromethyl)benzene (CAS: 707-72-2)?

When handling 1-(Dichloromethyl)-2-(trifluoromethyl)benzene, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Ensure to work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate safety protocols and materials as outlined in the Material Safety Data Sheet (MSDS).