1,5-Dichloro-2-methyl-3-nitrobenzene

Base Information

• Chemical Name: 1,5-Dichloro-2-methyl-3-nitrobenzene
• CAS No.: 64346-04-9
• Molecular Formula: C7H5 Cl2 N O2
• Molecular Weight: 206.028
• DSSTox Substance ID: DTXSID20597902
• Nikkaji Number: J753.721B
• Wikidata: Q82493562
• Mol file: 64346-04-9.mol

Synonyms:1,5-Dichloro-2-methyl-3-nitrobenzene;64346-04-9;2,4-DICHLORO-6-NITROTOLUENE;SCHEMBL3864393;DTXSID20597902;KQNSTNFHXQINJB-UHFFFAOYSA-N;DS-020980

Chemical Property of 1,5-Dichloro-2-methyl-3-nitrobenzene

Chemical Property:

• Melting Point: 60 °C
• Boiling Point: 262.4±35.0 °C(Predicted)
• PSA: 45.82000
• Density: 1.456±0.06 g/cm3(Predicted)
• LogP: 3.73320
• XLogP3: 3.2
• 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:

98.5% ^*data from raw suppliers

1,5-DICHLORO-2-METHYL-3-NITROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,5-Dichloro-2-methyl-3-nitrobenzene

There total 4 articles about 1,5-Dichloro-2-methyl-3-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:

5-chloro-2-methyl-1,3-dinitro-benzene (35572-79-3) → 2-nitro-4,6-dichloro-toluene (64346-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂S; alcohol; ammonia / Kochen des entstandenen 4-Chlor-6-nitro-2-hydroxylamino-toluols mit Salzsaeure + KI

2: Ersatz der NH₂-Gruppe durch Chlor

With ethanol; hydrogen sulfide; ammonia;

Reference yield:

2,4-diamino-6-dinitrotoluene (6629-29-4) → 2-nitro-4,6-dichloro-toluene (64346-04-9)

Guidance literature:

With hydrogenchloride; copper(l) chloride; sodium nitrite; at 50 ℃;

DOI:10.1002/hlca.19360190169

Reference yield:

4-chloro-2-nitrotoluene (89-59-8) → 2-nitro-4,6-dichloro-toluene (64346-04-9)

Guidance literature:

With iron; Einleiten von Chlor;

upstream raw materials:

4-chloro-2-nitrotoluene

2,4-diamino-6-dinitrotoluene

4-Amino-2,6-dinitrotoluene

5-chloro-2-methyl-1,3-dinitro-benzene

Downstream raw materials:

2-(2,4-dichloro-6-nitrophenyl)ethanol

5'-O-[2-(2,4-dichloro-6-nitrophenyl)ethoxycarbonyl]thymidine

5'-O-(2-(2,4-dichloro-6-nitrophenyl)ethoxycarbonyl)thymidine

2,4-dichloro-6-nitro-benzoic acid