2-Amino-5-chlorobenzonitrile

Synonym(s):5-Chloroanthranilonitrile

CAS NO.：5922-60-1
Empirical Formula: C7H5ClN2
Molecular Weight: 152.58
MDL number: MFCD00017106
EINECS: 227-651-5
SAFETY DATA SHEET (SDS)
Update Date: 2024-04-19 15:36:20

What is 2-Amino-5-chlorobenzonitrile?

Chemical properties

white to light beige crystalline needles

The Uses of 2-Amino-5-chlorobenzonitrile

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.

Properties of 2-Amino-5-chlorobenzonitrile

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 for 2-Amino-5-chlorobenzonitrile

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.