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| CAS No.: | 98-15-7 |
|---|---|
| Name: | 3-Chlorobenzotrifluoride |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4ClF3 |
| Molecular Weight: | 180.557 |
| Synonyms: | Toluene, m-chloro-alpha,alpha,alpha-trifluoro- (8CI);m-Trifluoromethylphenyl chloride;3-Chloro-.alpha.,.alpha., .alpha.-trifluorotoluene;Benzene, 1-chloro-3-(trifluoromethyl)-;1-Chloro-3-(trifluoromethyl)benzene;Toluene, m-chloro-.alpha., .alpha.,.alpha.-trifluoro-;m-Chloro-alpha,alpha,alpha-trifluorotoluene;Meta(trifluoromethyl)chlorobenzene;Benzene, 1-chloro-3- (trifluoromethyl)-;1/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4;3-Chloro-alpha,alpha,alpha-trifluorotoluene;m-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene;3-chloro-α,α,α-trifluorotoluene;3-Chlorotrifluoromethylbenzene; |
| EINECS: | 202-642-9 |
| Density: | 1.338 g/cm3 |
| Melting Point: | -55.4 °C |
| Boiling Point: | 135.9 °C at 760 mmHg |
| Flash Point: | 38.3 °C |
| Solubility: | water: <0.1 g/100 mL at 22 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36-24/25 |
| Transport Information: | UN 2234 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 3.35880 |
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| Conditions | Yield |
|---|---|
| With trichloroisocyanuric acid; bromine In tetrachloromethane at -10 - 100℃; for 18h; Photolysis; | 100% |
| Conditions | Yield |
|---|---|
| With sodium fluoride In N,N-dimethyl-formamide at 140℃; for 8h; Inert atmosphere; Sealed tube; | 77% |
| Conditions | Yield |
|---|---|
| With phenylphosphorus tetrachloride at 160℃; | 70% |
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C21H4ClF29O4Pb
- 98-15-7
3-chlorotrifluoromethylbenzene
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid | 50% |
- 98-08-8
α,α,α-trifluorotoluene
A
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B
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1,4-dichloro-2-trifluoromethylbenzene
C
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D
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1,2-dichloro-3-(trifluoromethyl)benzene
E
- 98-15-7
3-chlorotrifluoromethylbenzene
| Conditions | Yield |
|---|---|
| With chlorine; iron(III) chloride at 80℃; Product distribution; | A 15.6% B 35.6% C 2.2% D 8.9% E 37.1% |
| Conditions | Yield |
|---|---|
| With chlorine; iron(III) chloride | |
| With lead(IV) acetate; C6F13COOH; trifluoroacetic acid; lithium chloride Yield given. Multistep reaction; | |
| With lead(IV) acetate; perfluoroheptanoic acid; trifluoroacetic acid; lithium chloride 1.)80 deg C, 7 h 2.)r.t., 1 h; Yield given. Multistep reaction; | |
| With O2N-C6H4-S(=NSO2CF3)2Cl at 22℃; for 96h; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl oder CuSO4 in der Waerme; |
- 98-16-8
3-trifluoromethylaniline
A
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3-Trifluoromethylphenol
B
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3-chlorotrifluoromethylbenzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride Diazotization.Eintragen der Diazoniumsalz-Loesung in siedende wss. CuSO4-Loesung; |
| Conditions | Yield |
|---|---|
| With sulfur tetrafluoride; hydrogen fluoride at 120℃; | |
| With sulfur tetrafluoride; hydrogen fluoride at 120℃; for 6h; | |
| With sulfur tetrafluoride; hydrogen fluoride at 120℃; |
| Conditions | Yield |
|---|---|
| With antimony (V)-fluoride chloride; phosphorus pentachloride; chlorine Einleiten von HF; |
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Chemistry
3-Chlorobenzotrifluoride is the chemical compound with the formula C7H4ClF3 .Its molar weight is 180.56 .
3-Chlorobenzotrifluoride chemical structural formula is 
.
IUPAC Name of 3-Chlorobenzotrifluoride (CAS NO.98-15-7): 1-chloro-3-(trifluoromethyl)benzene
Synonyms : 3-Trifluoromethyl-chlorobenzene; 3-Chloro-alpha,alpha,alpha-trifluorotoluene
Product Categories: Trifluoromethylbenzene serise;Aromatic Hydrocarbons (substituted) & Derivatives;Miscellaneous;Chlorine Compounds;Fluorine Compounds
CAS Registry Number : 98-15-7
EINECS : 202-642-9
Density: 1.338 g/cm3
Flash Point: 38.3 °C
Melting point : -55.4 °C
Index of Refraction: 1.448
Surface Tension: 24.5 dyne/cm
Enthalpy of Vaporization: 35.79 kJ/mol
Boiling Point: 135.9 °C at 760 mmHg
Vapour Pressure: 9.37 mmHg at 25 °C
Appearance: A water-white liquid with an odor like moth balls
Water solubility of 3-Chlorobenzotrifluoride (CAS NO.98-15-7): <0.1 g/100 mL at 22 °C
Toxicity Data With Reference
| 1. | orl-rat LD50:>5000 mg/kg | TOBHB* TA:Toxikologische Bewertung. VI :89(1997),13. | ||
| 2. | ihl-rat LC50:>23,600 mg/m3/4H | TOBHB* TA:Toxikologische Bewertung. VI :89(1997),13. |
RTECS#: CAS# 98-15-7: XS9142000
LD50/LC50: RTECS:
CAS# 98-15-7: Inhalation, rat: LC50 = >23600 mg/m3/4H;
Oral, rat: LD50 = >5000 mg/kg;
Carcinogenicity: 3-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
Low toxicity by ingestion and inhalation. When heated to decomposition it emits toxic vapors of F− and Cl−.
Hazard Symbols Xi 
The Risk Statements information of 3-Chlorobenzotrifluoride (CAS NO.98-15-7): 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
The Safety Statements information of 3-Chlorobenzotrifluoride (CAS NO.98-15-7):16-24/25
S16:Keep away from sources of ignition.
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 2234 3/PG 3
TSCA: T
HazardClass: 3
PackingGroup: III
WGK Germany: 1
RTECS: XS9142000
Hazard Note: Flammable/Irritant
Specification
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Strong oxidants.
Incompatibilities with Other Materials Not available
Hazardous Decomposition Products Irritating and toxic fumes and gases.
Hazardous Polymerization Hazardous Polymerization