1,4-Dichloro-2-methyl-5-nitrobenzene

Base Information

• Chemical Name: 1,4-Dichloro-2-methyl-5-nitrobenzene
• CAS No.: 7149-76-0
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.028
• NSC Number: 72330
• DSSTox Substance ID: DTXSID90290998
• Nikkaji Number: J81.338I
• Wikidata: Q82028824
• Mol file: 7149-76-0.mol

Synonyms:1,4-dichloro-2-methyl-5-nitrobenzene;7149-76-0;1,4-DICHLORO-2-METHYL-5-NITRO-BENZENE;2,5-DICHLORO-4-NITROTOLUENE;NSC 72330;NSC72330;SCHEMBL1626324;DTXSID90290998;2,5-Dichloro-4-methyl-nitrobenzene;NSC-72330;AKOS024337400;CS-0245830;EN300-312001

Chemical Property of 1,4-Dichloro-2-methyl-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.00318mmHg at 25°C
• Boiling Point: 292.6°Cat760mmHg
• Flash Point: 130.8°C
• PSA: 45.82000
• Density: 1.456g/cm³
• LogP: 3.73320
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99%, ^*data from raw suppliers

2,5-DICHLORO-4-NITROTOLUENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl

Technology Process of 1,4-Dichloro-2-methyl-5-nitrobenzene

There total 8 articles about 1,4-Dichloro-2-methyl-5-nitrobenzene 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: 90.0%

2,5-dichlorotoluene (19398-61-9) → 2,5-dichloro-4-nitrotoluene (7149-76-0)

Guidance literature:

With nitric acid; In 1,2-dichloro-ethane; at 30 - 35 ℃; for 2h; Solvent;

Reference yield: 60.0%

2,4,5-Trichloronitrobenzene (89-69-0) + sodium diethylmalonate (996-82-7) → 1,2-dichloro-4-methyl-5-nitrobenzene (7494-45-3) + 2,5-dichloro-4-nitrotoluene (7149-76-0)

Guidance literature:

2,4,5-Trichloronitrobenzene; sodium diethylmalonate; In N,N-dimethyl-formamide; at 20 ℃;

With dimethyl sulfoxide; sodium chloride; at 160 - 170 ℃; for 12h;

DOI:10.1055/s-2000-8209

Reference yield:

1-methyl-4-nitrobenzene (99-99-0) → 2-chloro-4-nitrotoluene (121-86-8) + 1,3-dichloro-2-methyl-5-nitrobenzene (7149-69-1) + 2,3,6-trichloro-4-nitrotoluene (22548-85-2) + 2,3-dichloro-4-nitro-toluene (569340-31-4) + 2,3,5,6-tetrachloro-4-nitrotoluene (22490-21-7) + 2,5-dichloro-4-nitrotoluene (7149-76-0)

Guidance literature:

With iodine; chlorine; iron; In dichloromethane; at 25 ℃; Product distribution; var. temp., var. time;

DOI:10.1080/00397919308013809

upstream raw materials:

2,5-dichlorotoluene

4-chloro-5-methyl-2-nitro-aniline

4-chloro-2-methylbenzeneamine

1-methyl-4-nitrobenzene

Downstream raw materials:

2-[[2-(4-Chloro-5-methyl-2-nitro-phenylamino)-ethyl]-(2-hydroxy-ethyl)-amino]-ethanol

N'-(4-Chloro-5-methyl-2-nitro-phenyl)-N,N-diethyl-ethane-1,2-diamine

1-(4-chloro-5-methyl-2-nitro-anilino)-D-1-deoxy-ribitol

ziprazidone

Refernces

• 1、 Gurjar,Reddy,Murugaiah,Murugaiah. "Bis(dealkoxycarbonylation) of nitroarylmalonates: A facile entry to alkylated nitroaromatics". . p. 1659 - 1661. Retrieved 2007/10/03.
• 2、 -. "Processes and intermediates for the preparation of 5-[2-(4-(benzoisothiazol-3-yl)-piperazin-1-yl)ethyl]-6-chloro-1,3-dihydro-indol-2-one". . . Retrieved 2008/06/13.