2-Fluorotoluene Chemical Properties

Melting point:

-62 °C (lit.)

Boiling point:

113-114 °C (lit.)

Density 

1.001 g/mL at 25 °C (lit.)

vapor density 

3.8 (vs air)

vapor pressure 

21 mm Hg ( 20 °C)

refractive index 

n20/D 1.473(lit.)

Flash point:

55 °F

storage temp. 

Store below +30°C.

form 

Liquid

Specific Gravity

1.001

color 

Clear colorless to slightly yellow

explosive limit

1.3%(V)

Water Solubility 

immiscible

Merck 

14,4180

BRN 

1853362

Dielectric constant

4.2199999999999998

InChI

1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChIKey

MMZYCBHLNZVROM-UHFFFAOYSA-N

SMILES

Cc1ccccc1F

LogP

2.73-2.74

CAS DataBase Reference

95-52-3(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1-fluoro-2-methyl-(95-52-3)

EPA Substance Registry System

o-Fluorotoluene (95-52-3)

Safety Information

Hazard Codes 

F,Xi

Risk Statements 

11-36/37/38

Safety Statements 

16-26-33-36-37/39

RIDADR 

UN 2388 3/PG 2

WGK Germany 

3

RTECS 

XT2579000

Hazard Note 

Flammable/Irritant

TSCA 

TSCA listed

HazardClass 

3

PackingGroup 

II

HS Code 

29036990

Storage Class

3 - Flammable liquids

Hazard Classifications

Flam. Liq. 2
STOT SE 3

Toxicity

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg

MSDS

• Language:English Provider:2-Fluorotoluene
• Language:English Provider:SigmaAldrich
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2-Fluorotoluene Usage And Synthesis

Chemical Properties

clear colorless to slightly yellow liquid

Uses

It is employed in organic synthesis.

General Description

A colorless liquid with an aromatic odor. May sink or float on water.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

2-Fluorotoluene is of generally low reactivity. Reacts with strong oxidizing agents and strong reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides [USCG, 1999].

Health Hazard

Inhalation of vapor may cause respiratory irritation. Prolonged and repeated vapor exposures may produce systemic toxic effects.

Synthesis

The halogen exchange method reacts aromatic compounds with alkali metal fluorides (e.g., CsF and KF, etc.) and substituent groups, allowing the fluorine atom to replace other halogen groups (e.g., chlorine). The reaction method of halogen exchange between inorganic halides and between organic halides is known as the Finkelstein method. It is one of the most widely used methods for synthesizing fluoroaromatic compounds in industrial production, and has been one of the more active areas in the synthesis of fluoroaromatic compounds in recent years. Halogen exchange method is the main method with industrialized application value, characterized by low price of raw materials, easy to obtain and good selectivity, and in the reaction process can not use fluoroboric acid, hydrogen fluoride and other highly toxic reagents, in general, relatively environmentally friendly and safe, in line with the trend of the development of pharmaceutical pesticides nowadays. The disadvantage is that its reaction conditions are relatively harsh, requiring reaction at higher temperatures and under the condition of excess potassium fluoride, and also requiring the use of non-protonic inert reagents as solvents, and need to be carried out under the condition of anhydrous.

Purification Methods

Dry o-fluorotoluene with P2O5 or CaSO4 and fractionally distil it through a silvered vacuum-jacketed glass column with 1/8th-in glass helices. A high reflux ratio is necessary because of the closeness of the boiling points of the o-, m-and p-isomers [Potter & Saylor J Am Chem Soc 37 90 1951]. [Beilstein 5 H 290, 5 III 676, 5 IV 799.]

2-Fluorotoluene(95-52-3)Related Product Information

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