4-Amino-3-chlorobenzonitrile

Base Information

• Chemical Name: 4-Amino-3-chlorobenzonitrile
• CAS No.: 21803-75-8
• Molecular Formula: C7H5ClN2
• Molecular Weight: 152.583
• Hs Code.: 29269090
• Mol file: 21803-75-8.mol

Synonyms:2-Chloro-4-cyanoaniline;3-Chloro-4-aminobenzonitrile;

Chemical Property of 4-Amino-3-chlorobenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00442mmHg at 25°C
• Melting Point: 102-105 °C(lit.)
• Refractive Index: 1.609
• Boiling Point: 277.8 °C at 760 mmHg
• PKA: -0.22±0.10(Predicted)
• Flash Point: 121.8 °C
• PSA: 49.81000
• Density: 1.33 g/cm³
• LogP: 2.37508
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol

Purity/Quality:

98% ^*data from raw suppliers

4-Amino-3-chlorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-Amino-3-chlorobenzonitrile

There total 5 articles about 4-Amino-3-chlorobenzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

4-Aminobenzonitrile (873-74-5) → 4-amino-3-chlorobenzonitrile (21803-75-8)

Guidance literature:

With N-chloro-succinimide; isopropyl alcohol; for 0.25h; Heating;

DOI:10.1055/s-1999-2999

Reference yield: 91.0%

1-chloro-5-cyano-2-nitrobenzene (34662-29-8) → 4-amino-3-chlorobenzonitrile (21803-75-8)

Guidance literature:

With ethanol; iron; calcium chloride; In water; at 60 ℃; for 0.416667h; chemoselective reaction;

DOI:10.1055/s-0030-1259067

Reference yield:

4-Aminobenzonitrile (873-74-5) → 4-amino-3-chlorobenzonitrile (21803-75-8) + 4-amino-2-chlorobenzonitrile (20925-27-3)

Guidance literature:

With N-chloro-succinimide; In dichloromethane; acetonitrile;

upstream raw materials:

4-Aminobenzonitrile

N-(2-chloro-4-cyanophenyl)acetamide

1-chloro-5-cyano-2-nitrobenzene

Downstream raw materials:

4-amino-3-chlorobenzamide

4-amino-3-(benzyloxy)benzonitrile

2-chloro-4-(1H-tetrazol-5-yl)phenylamine

4-Amino-3-bromo-5-chlorobenzonitrile

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES". Paragraph 0383. . Retrieved 2016/08/03.
• 2、 Stoll, Armin H.,Knochel, Paul. "Preparation of fully substituted anilines for the synthesis of functionalized indoles". . p. 113 - 116. Retrieved 2008/04/12.