4-Chlorobenzotrifluoride | Pharmaceutical Grade | 99.99% Purity | 10mg 20mg 30mg Vials | CAS 98-56-6

4-Chlorobenzotrifluoride Basic information
Description
Product Name:
4-Chlorobenzotrifluoride
Synonyms:
4-Chlorobenzotrifluoride, 98% 250ML;4-Chlorobenzotrifluoride, 98% 25ML;The three fluorine chlorine toluene;For chlorobenzotrifluoride;alpha,alpha,alpha-trifluoro-4-chlorotoluene;Benzene,1-chloro-4-(trifluoromethyl)-;para-chloro-alpha,alpha,alpha-trifluorotoluene;para-Chlorobenzotrifluoride
CAS:
98-56-6
MF:
C7H4ClF3
MW:
180.55
EINECS:
202-681-1
Product Categories:
VOC Exempt Solvent;Aromatic Hydrocarbons (substituted) & Derivatives;Aromatics Compounds;Aromatics;Mutagenesis Research Chemicals;Chemical;alkyl chloride;bc0001;KT00001
Mol File:
98-56-6.mol

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.)
Fp 
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
Henry's Law Constant
2.8×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
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.
InChI
1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey
QULYNCCPRWKEMF-UHFFFAOYSA-N
SMILES
FC(F)(F)c1ccc(Cl)cc1
LogP
3.7 at 25℃
CAS DataBase Reference
98-56-6(CAS DataBase Reference)
IARC
2B (Vol. 125)
NIST Chemistry Reference
Benzene, 1-chloro-4-(trifluoromethyl)-(98-56-6)
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 
TSCA listed
HazardClass 
3
PackingGroup 
III
HS Code 
29036990
Storage Class
3 - Flammable liquids
Hazard Classifications
Aquatic Chronic 2
Flam. Liq. 3
Skin Sens. 1
Hazardous Substances Data
98-56-6(Hazardous Substances Data)

MSDS Information
Provider
Language
PCBTF
English
SigmaAldrich
English
ACROS
English
ALFA
English
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
Chemical intermediate for dinitroaniline herbicides, dyes. As dielectric fluid and as solvent.
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.
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.
Toxics Screening Level
The current initial threshold screening level (ITSL) for p-chlorobenzotrifluoride is 70 μg/m3 based on an annual averaging time.
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 Preparation Products And Raw materials
Raw materials
Chlorine-->Hydrogen fluoride-->4-Chlorotoluene-->p-Fluorotoluene-->4-Chlorobenzotrichloride-->4-Chlorodithiobenzoic acid ethyl ester-->METHYL CHLORODIFLUOROACETATE-->4-Trifluoromethylphenylboronic acid-->1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Tognis Reagent-->1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one-->Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate-->Sodium trifluoromethanesulfinate-->S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate-->1-Chloro-4-iodobenzene
Preparation Products
Fomesafen-->4-Aminobenzotrifluoride-->Fluoxetine-->Flutolanil-->Trifluralin-->Flumetralin-->4-Amino-3,5-dichlorobenzotrifluoride-->1,3-Dinitro-2-chloro-5-trifluoromethylbenzene-->FLUORODIFEN