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88-16-4

Basic Information
CAS No.: 88-16-4
Name: 2-Chlorobenzotrifluoride
Article Data: 36
Cas Database
Molecular Structure:
Molecular Structure of 88-16-4 (2-Chlorobenzotrifluoride)
Formula: C7H4ClF3
Molecular Weight: 180.557
Synonyms: o-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene;o-(Trifluoromethyl)phenyl chloride;2-Chloro-alpha,alpha,alpha-trifluorotoluene;Benzene, 1-chloro-2- (trifluoromethyl)-;o-(Trifluoromethyl)chlorobenzene;Chlorobenzotrifluoride;Benzene, 1-chloro-2-(trifluoromethyl)-;2-Chlorobenzotriflouride;O-chloro trifluorotoluene;2-chloro-α,α,α-trifluorotoluene;o-chlorobenzotrifluoride;2-chloro benzotri fluoride;o-Chloro-alpha,alpha,alpha-trifluorotoluene;1-Chloro-2-(trifluoromethyl)benzene;
EINECS: 201-805-1
Density: 1.338 g/cm3
Melting Point: -7.4 °C
Boiling Point: 155.7 °C at 760 mmHg
Flash Point: 58.9 °C
Solubility: <0.1 g/100 mL at 19.5 °C in water
Appearance: clear colourless to light yellow liquid
Hazard Symbols: HarmfulXn, FlammableF, IrritantXi, DangerousN
Risk Codes: 10-36/37/38-22
Safety: 26-36-36/37/39-16
Transport Information: UN 2234 3/PG 3
PSA: 0.00000
LogP: 3.35880
Synthetic route
615-41-8

2-iodochlorobenzene

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
In N,N,N,N,N,N-hexamethylphosphoric triamide; N,N-dimethyl-formamide at 60 - 70℃; for 6h;84%
79-35-6

1,1'-dichloro-2,2'-difluoroethene

392-83-6

o-trifluoromethylphenyl bromide

A

88-16-4

1-chloro-2-(trifluoromethyl)benzene

B

88444-77-3

1-(2,2-dichloro-1-fluoroethenyl)-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With n-butyllithium In diethyl ether for 1h; Heating;A 3%
B 77%
160911-81-9

1-Chloro-2-(ethylsulfanyl-difluoro-methyl)-benzene

A

88-16-4

1-chloro-2-(trifluoromethyl)benzene

B

115345-92-1

1-Chloro-2-(chloro-difluoro-methyl)-benzene

Conditions
ConditionsYield
With bromine trifluoride In trichlorofluoromethane at 0℃;A 70%
B 5%
With bromine trifluoride; trichlorofluoromethane at 0℃;A 70%
B 5%
160911-76-2

2-Chloro-dithiobenzoic acid ethyl ester

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With bromine trifluoride In trichlorofluoromethane at 0℃; for 0.0333333h;70%
Multi-step reaction with 2 steps
1: BrF3 / CCl3F / 0 °C
2: 70 percent / BrF3, CFCl3 / 0 °C
View Scheme
615-41-8

2-iodochlorobenzene

2923-18-4

sodium 2,2,2-trifluoroacetate

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With potassium fluoride; potassium phosphate In water; N,N-dimethyl-formamide at 20℃; for 48h; Irradiation; Inert atmosphere;63%
With 1-methyl-pyrrolidin-2-one; copper(l) iodide at 160℃; for 4h;87 % Chromat.
With copper; silver(l) oxide In N,N-dimethyl-formamide at 130℃; for 15h; Inert atmosphere;70 %Spectr.
694-80-4

2-bromo-1-chlorobenzene

2923-18-4

sodium 2,2,2-trifluoroacetate

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With potassium fluoride; potassium phosphate In water; N,N-dimethyl-formamide at 20℃; for 48h; Irradiation; Inert atmosphere;39%
110-91-8

morpholine

320-60-5

2,4-dichloro-benzotrifluoride

A

4-(3-chloro-4-trifluoromethylphenyl)morpholine

B

98-56-6

4-chlorobenzotrifluoride

C

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With Adipic acid; N'-phenyloxalyl bishydrazide; copper diacetate; sodium acetate; cetyltrimethylammonim bromide; 2,5-hexanedione; potassium hydroxide In water at 110℃; for 3h; Inert atmosphere;A 5%
B n/a
C n/a
2136-89-2

2-chlorobenzotrichloride

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With hydrogen fluoride; antimonypentachloride
With antimony(III) fluoride
With hydrogen fluoride at 50℃; under 7500.75 Torr; for 1h; Autoclave;
With antimony (V)-fluoride chloride; phosphorus pentachloride; hydrogen fluoride
With hydrogen fluoride at 82℃; under 1500.15 - 13501.4 Torr; for 0.5h; Pressure; Temperature;
88-17-5

2-(trifluoromethyl)benzenamine

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl;
61841-46-1

2,3,5-trichlorotrifluoromethylbenzene

88-16-4

1-chloro-2-(trifluoromethyl)benzene

Conditions
ConditionsYield
With Dichloromethylsilane at 240℃; (electron irradiation);
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  • 2-Chlorobenzotrifluoride   CAS: 88-16-4

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    Product Name: 2-Chlorobenzotrifluoride Molecular Formula: C7H4ClF3 Molecular Weight: 180.56 CAS No.: 88-16-4 EINECS: 201-805-1 Density: 1.379 Melting point: -7.4°C Appearance:Colorless liquid Storage:Preserve in well-closed, light-resist

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Chemistry

IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene
Synonyms: 2-Chloro-alpha,alpha,alpha-trifluorotoluene ; 1-Chloro-2-(trifluoromethyl)benzene; 2-Chloro(trifluoromethyl)benzene 
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Chlorine Compounds;Fluorine Compounds
Molecular Formula of 2-Chlorobenzotrifluoride (88-16-4): C7H4ClF3
Molecular Weight: 180.55 g/mol
EINECS: 201-805-1 
Melting point: -7.4 °C 
Density: 1.338 g/cm3
Flash Point: 58.9 °C
Index of Refraction: 1.448
Surface Tension: 24.5 dyne/cm  
Boiling Point: 155.7 °C at 760 mmHg
Enthalpy of Vaporization: 37.63 kJ/mol 
Vapour Pressure: 3.85 mmHg at 25°C 
storage temp.: Flammables area
Solubility: Insoluble in water, soluble in alcohol, ether, benzene .
Appearance of 2-Chlorobenzotrifluoride (88-16-4): clear colourless to light yellow liquid
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong bases
Following is the molecular structure of 2-Chlorobenzotrifluoride (88-16-4):
 

 

Uses

 2-Chlorobenzotrifluoride (88-16-4) can be used for intermediates in synthetic pesticide, dyestuff and medicine that containing fluorine.

Toxicity Data With Reference

RTECS#: CAS# 88-16-4: XS9141000
LD50/LC50: RTECS:
CAS# 88-16-4: Oral, rat: LD50 = 1600 mg/kg;
Carcinogenicity: 2-Chlorobenzotrifluoride - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: See actual entry in RTECS for complete information.

Safety Profile

Safty informations about 2-Chlorobenzotrifluoride (88-16-4):
Hazard Codes:IrritantXi,FlammableF,HarmfulXn,DangerousN
Risk Statements:10-36/37/38-22
 R10: Flammable
 R36/37/38:Irritating to eyes, respiratory system and skin
 R22 :Harmful if swallowed
Safety Statements: 26-36-36/37/39-16
 S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
 S36:Wear suitable protective clothing
 S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
 S16 :Keep away from sources of ignition - No smoking
RIDADR: UN 2234 3/PG 3
WGK Germany: 3
TSCA: T
HazardClass: 3
PackingGroup: III
 

Specification

Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials, ignition sources.
Incompatibilities with Other Materials Strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products Hydrogen chloride, chlorine, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization Will not occur.