2-Amino-5-chlorobenzonitrile Chemical Properties

Melting point:

96-99 °C (lit.)

Boiling point:

132-135 °C/0.5 mmHg (lit.)

Density 

1.2763 (rough estimate)

refractive index 

1.5500 (estimate)

Flash point:

>230 °F

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

Chloroform (Slightly), DMSO (Slightly)

pka

1.18±0.10(Predicted)

form 

Crystalline Needles

color 

White to light beige

CAS DataBase Reference

5922-60-1(CAS DataBase Reference)

EPA Substance Registry System

Benzonitrile, 2-amino-5-chloro- (5922-60-1)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-36-36/37/39

RIDADR 

3276

WGK Germany 

3

Hazard Note 

Irritant

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:5-Chloroanthranilonitrile
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2-Amino-5-chlorobenzonitrile Usage And Synthesis

Chemical Properties

white to light beige crystalline needles

Uses

2-Amino-5-chlorobenzonitrile was used to build up the 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system.

Preparation

Synthesis of 2-amino-5-chlorobenzonitrile is reported in the literature by two methods. The first method involves synthesis from 2-aminobenzonitrile, N-chlorosuccinimide an d acetonitrile. The second method involves synthesis from 5-chloroisatin-β-oxime and bis(2-ethylhexyl)phthalate. Both the methods are not feasible commercially as far as the cost and availability of raw materials are concerned.

Synthesis Reference(s)

Synthetic Communications, 20, p. 71, 1990 DOI: 10.1080/00397919008054617

General Description

The vibrational spectra of 2-amino-5-chlorobenzonitrile was studied using density functinal theory.

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