4-Chlorobenzotrifluoride Chemical Properties

Melting point:

-36 °C (lit.)

Boiling point:

136-138 °C (lit.)

Density 

1.353 g/mL at 25 °C (lit.)

vapor pressure 

10hPa at 25℃

refractive index 

n20/D 1.446(lit.)

Flash point:

117 °F

storage temp. 

Flammables area

solubility 

56mg/l

form 

Liquid

color 

Clear colorless

Specific Gravity

1.353

Odor

aromatic odor

Water Solubility 

29 ppm (23 ºC)

Merck 

14,2126

BRN 

510203

Exposure limits

ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3

Stability:

Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases.

InChIKey

QULYNCCPRWKEMF-UHFFFAOYSA-N

LogP

3.7 at 25℃

CAS DataBase Reference

98-56-6(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1-chloro-4-(trifluoromethyl)-(98-56-6)

IARC

2B (Vol. 125)

EPA Substance Registry System

p-Chlorobenzotrifluoride (98-56-6)

Safety Information

Hazard Codes 

Xi,F,N

Risk Statements 

10-36/37/38

Safety Statements 

26-36-24/25-16-36/37/39

RIDADR 

UN 2234 3/PG 3

WGK Germany 

2

RTECS 

XS9145000

Hazard Note 

Flammable/Irritant

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29036990

Hazardous Substances Data

98-56-6(Hazardous Substances Data)

MSDS

• Language:English Provider:PCBTF
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Chlorobenzotrifluoride Usage And Synthesis

Description

4-Chlorobenzotrifluoride acts as an important intermediate for dyes, pharmaceuticals, pesticides, insecticides and herbicides. It is widely used in various applications including adhesives, pigments, sealant chemicals, paints and coatings as well as being used as an active component of polyurethane finishes. It is also used as an environmental friendly solvent for cleaning or degreasing and dielectric fluid. Because of its high capacity to dissolve inks, it is also used in the printing industry. Finally, it also finds applications in xylene replacement in cleaners, thinners and other aromatic hydrocarbon blends1. Other applications for PCBTF include resins, epoxy resins, diluents, graffiti removers, and various other solvent applications.

Description

Chlorobenzotrifluoride is a colorless, highlyflammable liquid. Molecular weight=180.6; Boilingpoint=139℃; Melting/Freezing point=236℃; Flashpoint=43℃ (cc); Autoignition temp=.500℃;Flammable limits are: LEL=0.9%; UEL=10.5%. HazardIdentification (based on NFPA 704 M Rating System):Health 2, Flammability 2, Reactivity 0. The pure o-isomer:Boiling point=152℃; Flash point=59℃. HazardIdentification (based on NFPA 704 M Rating System):642 ChlorobenzotrifluorideHealth 2, Flammability 2, Reactivity 1. Slightly soluble inwater; solubility=,1 mg/mL at 20℃

Chemical Properties

Chlorobenzotrifluoride is a colorless, highly flammable liquid.

Uses

A benzene derivative; displays mutagenic and toxic activity.

Uses

4-Chlorobenzotrifluoride acts as an important intermediate for dyes. It is used as an active component of polyurethane finishes. It is also used in adhesives, pigments, sealant chemicals, paints and coatings. Further, it is used as an environmental friendly solvent for cleaning or degreasing and dielectric fluid. It has a high capacity to dissolve inks, which is used in the printing industry. In addition to this, it is also used as xylene replacement in cleaners, thinners and other aromatic hydrocarbon blends.

Uses

Chemical intermediate for dinitroaniline herbicides, dyes. As dielectric fluid and as solvent.

General Description

Clear colorless liquid with an aromatic odor.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

4-Chlorobenzotrifluoride is sensitive to heat and light. 4-Chlorobenzotrifluoride reacts vigorously with oxidizing materials such as permanganates and dichromates. 4-Chlorobenzotrifluoride is incompatible with strong bases. 4-Chlorobenzotrifluoride is also incompatible with sodium dimethyl sulfonate.

Fire Hazard

4-Chlorobenzotrifluoride is combustible.

Safety Profile

Mildly toxic by ingestion and inhalation. Human mutation data reported. Flammable. Strongly exothermic reaction with sodium dimethylsulfinate. When heated to decomposition it emits toxic fumes of Fand Cl-. See also CHLORINATED HYDROCARBONS, AROMATIC; and FLUORIDES.

Potential Exposure

This material is used in the manufacture of pharmaceuticals; dyes, dielectrics, and insecticides.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.

storage

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with chlorobenzotrifluoride you should betrained on its proper handling and storage. Store in tightlyclosed containers in a cool, well-ventilated area away fromoxidizers. Metal containers involving the transfer of thischemical should be grounded and bonded. Drums must beequipped with self-closing valves, pressure vacuum bungs,and flame arresters. Use only nonsparking tools and equipment, especially when opening and closing containers ofthis chemical. Sources of ignition, such as smoking andopen flames, are prohibited where this chemical is used,handled, or stored in a manner that could create a potentialfire or explosion hazard.

Shipping

UN2234 Chlorobenzotrifluorides, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Purify it as for o-chlorobenzotrifluoride above. [Beilstein 5 IV 815.]

Incompatibilities

Vapors may form explosive mixture with air. Violent reaction with strong oxidizers, such as permanganates and dichromates, chlorates, nitrates, peroxides, perchlorates, chlorine, bromine, fluorine, etc.; contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Mixture with sodium dimethyl 5-sulphonatoisophthalate (3965-55-7) may cause explosion.

Waste Disposal

In accordance with 40CFR165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.

4-Chlorobenzotrifluoride(98-56-6)Related Product Information

• Allylbenzene
• Diethylstilbestrol
• 4-Chlorotoluene
• 1,4-Bis(trifluoromethyl)-benzene
• 3-Bromobenzotrifluoride
• 3-Aminobenzotrifluoride
• 2,4-Dichlorobenzotrifluoride
• Benzotrifluoride
• Benzene
• 4-Bromobenzotrifluoride
• 3-Fluorobenzotrifluoride
• 3,4-Dichlorobenzotrifluoride
• 4-(Trifluoromethoxy)chlorobenzene
• Chlorobenzene
• Epichlorohydrin
• Ethylbenzene
• 2-Methylbenzotrifluoride
• 4-Chlorobenzotrichloride