2-Chloro-4-fluorobenzonitrile Property

Melting point:

64-66 °C(lit.)

Boiling point:

233.4±20.0 °C(Predicted)

Density 

1.3760 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

color 

White to Almost white

BRN 

6323034

InChI

InChI=1S/C7H3ClFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H

InChIKey

PGKPNNMOFHNZJX-UHFFFAOYSA-N

SMILES

C(#N)C1=CC=C(F)C=C1Cl

CAS DataBase Reference

60702-69-4(CAS DataBase Reference)

NIST Chemistry Reference

2-Chloro-4-fluorobenzonitrile(60702-69-4)

Safety

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36-36/37/39

RIDADR 

3439

WGK Germany 

3

Hazard Note 

Harmful/Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

2-Chloro-4-fluorobenzonitrile Chemical Properties,Usage,Production

Description

2-Chloro-4-fluorobenzonitrile is an organohalogen compound that can be used for aryl dechlorination and defluorination reactions using organic super photoreductants. The use of a light emitting diode to directly excite the super electron donor tetrakis(dimethylamino)ethylene (TDAE) at 440 or 390 nm provides a quantitative reductant capable of reducing aryl chlorides and fluorides. The photoactive excited state lifetime of TDAE in cyclohexane is 17.3 ns at room temperature, with an oxidation potential of about -3.4 V for SCE.

Chemical Properties

semi-transparent crystalline chunks

Uses

4-Fluoro-2-chlorobenzonitrile is used in the synthesis of androgen receptor antagonists in the treatment of prostate cancer. Also used in the synthesis of pyrazole derivatives as novel androgen receptor antagonists.

Uses

2-Chloro-4-fluorobenzonitrile may be used in the preparation of 2-chloro-3,4-diaminobenzonitrile.