2-Amino-3,5-dichlorobenzonitrile

Base Information

• Chemical Name: 2-Amino-3,5-dichlorobenzonitrile
• CAS No.: 36764-94-0
• Molecular Formula: C7H4Cl2N2
• Molecular Weight: 187.028
• Hs Code.: 2926907090
• European Community (EC) Number: 624-451-3
• DSSTox Substance ID: DTXSID60353206
• Nikkaji Number: J3.199.326A
• Wikidata: Q72435666
• Mol file: 36764-94-0.mol

Synonyms:2-Amino-3,5-dichlorobenzonitrile;36764-94-0;MFCD00158947;3,5-Dichloroanthranilonitrile;SCHEMBL165074;AMY2957;DTXSID60353206;CK1046;AKOS009092278;AC-3186;PS-4848;2-Amino-3,5-dichlorobenzonitrile, 97%;SY004379;CS-0096875;FT-0611042;J-507769

Chemical Property of 2-Amino-3,5-dichlorobenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal
• Vapor Pressure: 0.00294mmHg at 25°C
• Melting Point: 123-127 °C(lit.)
• Refractive Index: 1.626
• Boiling Point: 284.7°C at 760mmHg
• Flash Point: 126°C
• PSA: 49.81000
• Density: 1.48g/cm³
• LogP: 3.02848
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.9751535
• Heavy Atom Count: 11
• Complexity: 186

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-3,5-dichlorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-43-36/37/38-20/21/22
• 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=C(C=C(C(=C1C#N)N)Cl)Cl

Technology Process of 2-Amino-3,5-dichlorobenzonitrile

There total 2 articles about 2-Amino-3,5-dichlorobenzonitrile 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: 72.0%

anthranilic acid nitrile (1885-29-6) → 2-amino-3,5-dichlorobenzonitrile (36764-94-0)

Guidance literature:

With N-chloro-N-methoxybenzenesulfonamide; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1002/ejoc.201601226

Reference yield:

→ 2-amino-3,5-dichlorobenzonitrile (36764-94-0)

Guidance literature:

3,5-Dichlor-anthranilamid;

Reference yield: 98.0%

carbon dioxide (124-38-9,18923-20-1) + 2-amino-3,5-dichlorobenzonitrile (36764-94-0) → 6,8-dichloroquinazoline-2,4(1H,3H)-dione (610-24-2)

Guidance literature:

With potassium carbonate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In dimethyl sulfoxide; at 120 ℃; for 8h; under 750.075 Torr; High pressure; Autoclave;

DOI:10.1039/c4ra13752c

upstream raw materials:

anthranilic acid nitrile

Downstream raw materials:

C₂₄H₁₀Cl₄N₄O₂

(R)-3,5-dichloro-2-[6-chloro-4-(1-cyclopropylethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino]benzonitrile

6,8-dichloroquinazoline-2,4(1H,3H)-dione

3-bromo-1-(3-chloropyridin-2-yl)-N-(2,4-dichloro-6-cyanophenyl)-1H-pyrazole-5-carboxamide

Refernces

• 1、 Lu, Zehai,Li, Qingwei,Tang, Minghua,Jiang, Panpan,Zheng, Hao,Yang, Xianjin. "CFBSA: a novel and practical chlorinating reagent". supporting information. p. 14852 - 14855. Retrieved 2015/10/06.