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ChemicalBook--->CAS DataBase List--->98-56-6

98-56-6

98-56-6 Structure

98-56-6 Structure
IdentificationMore
[Name]

4-Chlorobenzotrifluoride
[CAS]

98-56-6
[Synonyms]

1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE
4-CHLOR-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
4-CHLORO-A,A,A-TRIFLUOROTOLUENE
4-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
4-CHLOROBENZOTRIFLUORIDE
4-Chlorotrifluoromethylbenzene
4-CHLOROTRIFLUOROTOLUENE
4-TRIFLUOROMETHYL CHLOROBENZENE
PCBTF
P-CHLORO-A,A,A-TRIFLUOROTOLUENE
P-CHLOROBENZOTRIFLUORIDE
(P-CHLOROPHENYL) TRIFLUOROMETHANE
P-CHLORO(TRIFLUOROMETHYL)BENZENE
P-(TRIFLUOROMETHYL)CHLOROBENZENE
1-(Trifluoromethyl)-4-chlorobenzene
1-chloro-4-(trifluoromethyl)-benzen
1-chloro-4-(trimethyl)benzene
alpha,alpha,alpha-trifluoro-4-chlorotoluene
Benzene,1-chloro-4-(trifluoromethyl)-
para-chloro-alpha,alpha,alpha-trifluorotoluene
[EINECS(EC#)]

202-681-1
[Molecular Formula]

C7H4ClF3
[MDL Number]

MFCD00000627
[Molecular Weight]

180.55
[MOL File]

98-56-6.mol
Chemical PropertiesBack Directory
[Appearance]

Chlorobenzotrifluoride is a colorless, highly flammable liquid.
[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
[Stability:]

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

29 ppm (23 ºC)
[Usage]

A benzene derivative; shows mutagenicity and toxicity activity
[Merck ]

14,2126
[BRN ]

510203
[Exposure limits]

ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
[InChIKey]

QULYNCCPRWKEMF-UHFFFAOYSA-N
[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]

98-56-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F,N
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2234 3/PG 3
[WGK Germany ]

2
[RTECS ]

XS9145000
[Hazard Note ]

Flammable/Irritant
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29036990
[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.
[Hazardous Substances Data]

98-56-6(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[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
Hazard InformationBack Directory
[General Description]

Clear colorless liquid with an aromatic odor.
[Reactivity Profile]

P-CHLOROBENZOTRIFLUORIDE(98-56-6) is sensitive to heat and light. This chemical reacts vigorously with oxidizing materials such as permanganates and dichromates. P-CHLOROBENZOTRIFLUORIDE(98-56-6) is incompatible with strong bases. P-CHLOROBENZOTRIFLUORIDE(98-56-6) is also incompatible with sodium dimethyl sulfonate.
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Potential Exposure]

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

This chemical is combustible.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seekmedical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN2234 Chlorobenzotrifluorides, Hazard Class: 3; Labels: 3-Flammable liquid.
[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.
[Chemical Properties]

Chlorobenzotrifluoride is a colorless, highly flammable liquid.
[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.
[Uses]

A benzene derivative; displays mutagenic and toxic activity.
[Uses]

Chemical intermediate for dinitroaniline herbicides, dyes. As dielectric fluid and as solvent.
[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.
[Purification Methods]

Purify it as for o-chlorobenzotrifluoride above. [Beilstein 5 IV 815.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

PCBTF(98-56-6).msds
Questions And AnswerBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorobenzotrifluoride(98-56-6)MS
4-Chlorobenzotrifluoride(98-56-6)1HNMR
4-Chlorobenzotrifluoride(98-56-6)13CNMR
4-Chlorobenzotrifluoride(98-56-6)IR1
4-Chlorobenzotrifluoride(98-56-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorobenzotrifluoride, 98%(98-56-6)
[Alfa Aesar]

4-Chlorobenzotrifluoride, 98+%(98-56-6)
[Sigma Aldrich]

98-56-6(sigmaaldrich)
[TCI AMERICA]

4-Chlorobenzotrifluoride,>98.0%(GC)(98-56-6)
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