2-Chloro-4-fluorobenzonitrile Chemical Properties

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 Information

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

MSDS

• Language:English Provider:2-Chloro-4-fluorobenzonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2-Chloro-4-fluorobenzonitrile Usage And Synthesis

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.

2-Chloro-4-fluorobenzonitrile(60702-69-4)Related Product Information

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