Benzotrifluoride

Structural formula
General
Surname	Benzotrifluoride
other names	(Trifluoromethyl) benzene ( IUPAC ) ; α, α, α-trifluorotoluene; Phenyl fluoroform; Phenyl trifluoromethane;
Molecular formula	C 7 H 5 F 3
Brief description	colorless, highly flammable liquid
External identifiers / databases
EC number	202-635-0
ECHA InfoCard	100.002.396
PubChem	7368
ChemSpider	7090
Wikidata	Q409755
properties
Molar mass	146.11 g mol −1
Physical state	liquid
density	1.2 g cm −3
Melting point	−29 ° C
boiling point	102 ° C
Vapor pressure	40 h Pa (20 ° C)
solubility	very heavy in water (0.45 g l −1 at 20 ° C, hydrolysis)
Refractive index	1.413-1.415
safety instructions
H and P phrases	H: 225-411
	P: 210-273
Toxicological data	15 g kg −1 ( LD 50 , rat , oral )
	As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions . Refractive index: Na-D line , 20 ° C

Benzotrifluoride is a chemical compound from the group of aromatic fluorocarbons . It is a colorless, volatile, highly flammable and almost odorless liquid.

Extraction and presentation

Benzotrifluoride can be made by fluorinating benzotrichloride .

properties

Physical Properties

Benzotrifluoride is a colorless, highly flammable liquid that is very poorly soluble in water. The boiling point under normal pressure is 102.3 ° C. According to Antoine, the vapor pressure function results according to log ₁₀ (P) = A− (B / (T + C)) (P in Torr, T in K) with A = 6.642, B = 1148.7 and C = −70.9 in the temperature range from 2 to 80 ° C. The compound has a calorific value of 4.6 kWh / kg. Benzotrifluoride vapors are five times as heavy as air.

It reacts with hot water, producing hydrogen fluoride and benzoic acid .

use

Benzotrifluoride is used as a starting material for the production of herbicides , dyes and pharmaceuticals, such as the intermediate m -chlorobenzotrifluoride C ₇ H ₄ ClF ₃ and benzotrifluoride isocyanates . It is still used as a solvent .

safety instructions

Benzotrifluoride vapors form an explosive mixture with air ( flash point 12 ° C, ignition temperature 620 ° C).

Individual evidence

↑ ^a ^b Benzotrifluoride data sheet (PDF) from Merck , accessed on February 27, 2010.

↑ ^a ^b ^c ^d ^e ^f ^g ^h Entry on alpha, alpha, alpha-trifluorotoluene in the GESTIS substance database of the IFA , accessed on February 22, 2017(JavaScript required) .

↑ entry to benzotrifluoride at ChemBlink , accessed on February 25 2011th

↑ Entry on α, α, α-trifluorotoluene in the Classification and Labeling Inventory of the European Chemicals Agency (ECHA), accessed on February 1, 2016. Manufacturers or distributors can expand the harmonized classification and labeling .

↑ ^a ^b Field, FH; Saylor, JH: The Vapor Pressures of Some Organic Fluorides in J. Am. Chem. Soc. 68 (1946) 2649-2650.

↑ List of calorific values (PDF; 15 kB), accessed on August 13, 2012

[merck-1] Benzotrifluoride data sheet (PDF) from Merck , accessed on February 27, 2010.

[GESTIS-2] ↑ ^a ^b ^c ^d ^e ^f ^g ^h Entry on alpha, alpha, alpha-trifluorotoluene in the GESTIS substance database of the IFA , accessed on February 22, 2017(JavaScript required) .

[3] try to benzotrifluoride at ChemBlink , accessed on February 25 2011th

[CLP_100.002.396-4] Entry on α, α, α-trifluorotoluene in the Classification and Labeling Inventory of the European Chemicals Agency (ECHA), accessed on February 1, 2016. Manufacturers or distributors can expand the harmonized classification and labeling .

[Field-5] Field, FH; Saylor, JH: The Vapor Pressures of Some Organic Fluorides in J. Am. Chem. Soc. 68 (1946) 2649-2650.

[6] List of calorific values (PDF; 15 kB), accessed on August 13, 2012