2-Amino-6-chlorobenzonitrile

Base Information

• Chemical Name: 2-Amino-6-chlorobenzonitrile
• CAS No.: 6575-11-7
• Molecular Formula: C7H5ClN2
• Molecular Weight: 152.583
• Hs Code.: 2926909090
• European Community (EC) Number: 229-501-4
• NSC Number: 129936
• DSSTox Substance ID: DTXSID60215956
• Nikkaji Number: J225.198A
• Wikidata: Q72434291
• Mol file: 6575-11-7.mol

Synonyms:2-Amino-6-chlorobenzonitrile;6575-11-7;Benzonitrile, 2-amino-6-chloro-;6-Chloroanthranilonitrile;2-amino-6-chloro-benzonitrile;Benzonitrile,2-amino-6-chloro-;MFCD00015546;3-Chloro-2-cyanoaniline;NSC129936;6-Amino-2-chlorobenzonitrile;SCHEMBL164718;2-amino-6-chloro benzonitrile;DTXSID60215956;STR03690;EINECS 229-501-4;2-Amino-6-chlorobenzonitrile, 96%;BBL011047;CL8149;STK802218;AKOS005622523;AC-2311;NSC 129936;NSC-129936;SB76223;2-azanyl-6-chloranyl-benzenecarbonitrile;AC-26098;AM808207;SY011984;CS-0033834;FT-0611201;EN300-24404;A835216;A913962;AC-907/25014154;W-104787;Z194627686

Chemical Property of 2-Amino-6-chlorobenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000208mmHg at 25°C
• Melting Point: 134-136 °C(lit.)
• Refractive Index: 1.609
• Boiling Point: 327 °C at 760 mmHg
• PKA: 0.76±0.10(Predicted)
• Flash Point: 151.6 °C
• PSA: 49.81000
• Density: 1.33 g/cm³
• LogP: 2.37508
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.0141259
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Amino-6-chlorobenzonitrile 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 43-36/37/38-20/21/22
• Safety Statements: 36/37-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C#N)N
• Uses: 2-Amino-6-chlorobenzonitrile is a useful reagent for the preparation of oxo pentylcyclopentyl acetamide derivatives for plant growth regulators.

Technology Process of 2-Amino-6-chlorobenzonitrile

There total 2 articles about 2-Amino-6-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: 66.0%

2-chloro-6-nitrobenzonitrile (6575-07-1) → 2-amino-6-chlorobenzonitrile (6575-11-7)

Guidance literature:

With hydrogenchloride; iron; In methanol; for 0.25h; Heating;

DOI:10.1021/jm00138a020

Reference yield:

→ 2-amino-6-chlorobenzonitrile (6575-11-7)

Guidance literature:

2,6-Dichlor-benzonitril, NH3;

Reference yield: 99.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2-amino-6-chlorobenzonitrile (6575-11-7) → 2-chloro-6-(1H-pyrrol-1-yl)benzonitrile (418762-89-7)

Guidance literature:

With acetic acid; at 125 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jacs.9b06277

upstream raw materials:

2-chloro-6-nitrobenzonitrile

Downstream raw materials:

N-(3-Chloro-2-cyano-phenyl)-oxalamic acid ethyl ester

2-Chlorobenzonitrile

N-(3-chloro-2-cyanophenyl)benzonitrile

methyl 6-chloroanthranilate

Refernces

• 1、 Klaubert, Dieter H.,Sellstedt, John H.,Guinosso, Charles J.,Capetola, Robert J.,Bell, Stanley C.. "N-(Aminophenyl)oxamic Acids and Esters as Potent, Orally Active Antiallergy Agents". . p. 742 - 748. Retrieved 2007/10/02.