2,4-Dichlorobenzonitrile

Base Information

• Chemical Name: 2,4-Dichlorobenzonitrile
• CAS No.: 6574-98-7
• Molecular Formula: C7H3Cl2N
• Molecular Weight: 172.014
• Hs Code.: 29269095
• European Community (EC) Number: 229-493-2
• DSSTox Substance ID: DTXSID30215943
• Nikkaji Number: J225.194I
• Wikidata: Q69759027
• Mol file: 6574-98-7.mol

Synonyms:2,4-Dichlorobenzonitrile;6574-98-7;Benzonitrile, 2,4-dichloro-;2,4-dichloro-benzonitrile;EINECS 229-493-2;MFCD00016373;2,4-dichloro benzonitrile;SCHEMBL101711;DTXSID30215943;STK696534;AKOS000304453;AC-2865;CS-W017635;GS-3181;SB38158;BP-12727;AM20060061;D3349;FT-0610045;EN300-49575;A19026;O10595;Q-200183

Chemical Property of 2,4-Dichlorobenzonitrile

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 0.0122mmHg at 25°C
• Melting Point: 57-61 °C
• Refractive Index: 1.583
• Boiling Point: 260.5 °C at 760 mmHg
• Flash Point: 113.4 °C
• PSA: 23.79000
• Density: 1.4 g/cm³
• LogP: 2.86508
• Storage Temp.: Store below +30°C.
• Solubility.: soluble in Methanol
• Water Solubility.: insoluble
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.9642545
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichlorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, T
• Hazard Codes: Xn,T,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26-36-36/37-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C#N
• Uses: Used as intermediate for the synthesis of agrochemicals, pharmaceuticals and chemical intermediates.

Technology Process of 2,4-Dichlorobenzonitrile

There total 32 articles about 2,4-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: 99.0%

(2,4-dichlorophenyl)methanol (1777-82-8) → 2,4-dichlorobenzylnitrile (6574-98-7)

Guidance literature:

(2,4-dichlorophenyl)methanol; With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tert-butylhypochlorite; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

With ammonia; iodine; In dichloromethane; water; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0033-1338489

Reference yield: 97.0%

2,4-dichlorobenzaldoxime (56843-28-8) → 2,4-dichlorobenzylnitrile (6574-98-7)

Guidance literature:

With tetrachloromethane; triphenylphosphine; for 0.5h; Ambient temperature;

Reference yield: 94.0%

2,4-dichlorobenzaldeyhde (874-42-0) → 2,4-dichlorobenzylnitrile (6574-98-7)

Guidance literature:

With Envirocat EPZG^R; hydroxylamine hydrochloride; triethylamine; for 0.05h; Irradiation;

DOI:10.1080/00397910008086918

upstream raw materials:

benzenesulfonamide

2,4 dichlorobenzoic acid

2,4-dichlorobenzamide

2,4-Dichloroaniline

Downstream raw materials:

2,4-dichloro-N-phenylbenzimidamide

1-(2,4-dichlorophenyl)ethan-1-one

2,4 dichlorobenzoic acid

2,4-dichloro-benzenemethanamine

Refernces

• 1、 Ding, Chengrong,Mei, Guangyao,Wang, Haibo,Zhang, Guofu,Zhao, Yiyong. "SO 2 F 2 -Promoted Dehydration of Aldoximes: A Rapid and Simple Access to Nitriles". supporting information. p. 1484 - 1488. Retrieved 2019/07/15.
• 2、 Al-Huniti, Mohammed H.,Rivera-Chávez, José,Colón, Katsuya L.,Stanley, Jarrod L.,Burdette, Joanna E.,Pearce, Cedric J.,Oberlies, Nicholas H.,Croatt, Mitchell P.. "Development and Utilization of a Palladium-Catalyzed Dehydration of Primary Amides to Form Nitriles". . p. 6046 - 6050. Retrieved 2018/09/27.