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Cas Database |
| Name |
2-Chlorobenzotrifluoride |
EINECS | 201-805-1 |
| CAS No. | 88-16-4 | Density | 1.338 g/cm3 |
| PSA | 0.00000 | LogP | 3.35880 |
| Solubility | <0.1 g/100 mL at 19.5 °C in water | Melting Point |
-7.4 °C |
| Formula | C7H4ClF3 | Boiling Point | 155.7 °C at 760 mmHg |
| Molecular Weight | 180.557 | Flash Point | 58.9 °C |
| Transport Information | UN 2234 3/PG 3 | Appearance | clear colourless to light yellow liquid |
| Safety | 26-36-36/37/39-16 | Risk Codes | 10-36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  F,  Xi,  N
|
| 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; |
Article Data | 36 |
2-Chlorobenzotrifluoride Synthetic route
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
B
- 98-56-6
4-chlorobenzotrifluoride
C
- 88-16-4
1-chloro-2-(trifluoromethyl)benzene
| Conditions | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl; |
- 61841-46-1
2,3,5-trichlorotrifluoromethylbenzene
- 88-16-4
1-chloro-2-(trifluoromethyl)benzene
| Conditions | Yield |
|---|---|
| With Dichloromethylsilane at 240℃; (electron irradiation); |
2-Chlorobenzotrifluoride Chemical Properties
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):
2-Chlorobenzotrifluoride Uses
2-Chlorobenzotrifluoride (88-16-4) can be used for intermediates in synthetic pesticide, dyestuff and medicine that containing fluorine.
2-Chlorobenzotrifluoride 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.
2-Chlorobenzotrifluoride Safety Profile
Safty informations about 2-Chlorobenzotrifluoride (88-16-4):
Hazard Codes:
Xi,
F,
Xn,
N
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
2-Chlorobenzotrifluoride 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.
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