Product Name

  • Name

    3-Chlorobenzotrifluoride

  • EINECS 202-642-9
  • CAS No. 98-15-7
  • Article Data32
  • CAS DataBase
  • Density 1.338 g/cm3
  • Solubility water: <0.1 g/100 mL at 22 °C
  • Melting Point -55.4 °C
  • Formula C7H4ClF3
  • Boiling Point 135.9 °C at 760 mmHg
  • Molecular Weight 180.557
  • Flash Point 38.3 °C
  • Transport Information UN 2234 3/PG 3
  • Appearance clear colourless liquid
  • Safety 16-26-36-24/25
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 98-15-7 (3-Chlorobenzotrifluoride)
  • Hazard Symbols IrritantXi,FlammableF
  • 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;
  • PSA 0.00000
  • LogP 3.35880

Synthetic route

3-(trifluoromethyl)benzoic acid
454-92-2

3-(trifluoromethyl)benzoic acid

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With trichloroisocyanuric acid; bromine In tetrachloromethane at -10 - 100℃; for 18h; Photolysis;100%
3-iodochlorobenzene
625-99-0

3-iodochlorobenzene

1,10-phenanthroline trifluoroacetic acid cuprous (I)

1,10-phenanthroline trifluoroacetic acid cuprous (I)

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With sodium fluoride In N,N-dimethyl-formamide at 140℃; for 8h; Inert atmosphere; Sealed tube;77%
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With phenylphosphorus tetrachloride at 160℃;70%
C21H4ClF29O4Pb
102644-91-7

C21H4ClF29O4Pb

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With trifluoroacetic acid50%
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

A

1,2-dichloro-4-(trifluoromethyl)benzene
328-84-7

1,2-dichloro-4-(trifluoromethyl)benzene

B

1,4-dichloro-2-trifluoromethylbenzene
320-50-3

1,4-dichloro-2-trifluoromethylbenzene

C

1,3-dichloro-5-(trifluoromethyl)benzene
54773-20-5

1,3-dichloro-5-(trifluoromethyl)benzene

D

1,2-dichloro-3-(trifluoromethyl)benzene
54773-19-2

1,2-dichloro-3-(trifluoromethyl)benzene

E

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With chlorine; iron(III) chloride at 80℃; Product distribution;A 15.6%
B 35.6%
C 2.2%
D 8.9%
E 37.1%
...Expand
α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
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;
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl oder CuSO4 in der Waerme;
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

A

3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

B

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With hydrogenchloride Diazotization.Eintragen der Diazoniumsalz-Loesung in siedende wss. CuSO4-Loesung;
benzoyl chloride
98-88-4

benzoyl chloride

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With sulfur tetrafluoride; hydrogen fluoride at 120℃;
With sulfur tetrafluoride; hydrogen fluoride at 120℃; for 6h;
With sulfur tetrafluoride; hydrogen fluoride at 120℃;
Benzotrichlorid
98-07-7

Benzotrichlorid

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With antimony (V)-fluoride chloride; phosphorus pentachloride; chlorine Einleiten von HF;
2,3,5-trichlorotrifluoromethylbenzene
61841-46-1

2,3,5-trichlorotrifluoromethylbenzene

3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

Conditions
ConditionsYield
With Dichloromethylsilane at 240℃; (electron irradiation);

3-Chlorobenzotrifluoride Chemical Properties

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

3-Chlorobenzotrifluoride 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.

3-Chlorobenzotrifluoride 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

 

3-Chlorobenzotrifluoride 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

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