4-Chloro-3,5-dinitrotoluene

Base Information

• Chemical Name: 4-Chloro-3,5-dinitrotoluene
• CAS No.: 5264-65-3
• Molecular Formula: C7H5ClN2O4
• Molecular Weight: 216.581
• Hs Code.: 2904909090
• European Community (EC) Number: 226-080-9
• NSC Number: 105591
• DSSTox Substance ID: DTXSID30200617
• Nikkaji Number: J297.965I
• Mol file: 5264-65-3.mol

Synonyms:4-Chloro-3,5-dinitrotoluene;5264-65-3;2-Chloro-5-methyl-1,3-dinitrobenzene;EINECS 226-080-9;Benzene, 2-chloro-5-methyl-1,3-dinitro-;2,6-dinitro-4-methylchlorobenzene;NSC105591;4-chloro-3,5dinitrotoluene;NCIOpen2_007318;SCHEMBL8677526;DTXSID30200617;MFCD00060535;AKOS003632007;MS-3686;NSC 105591;NSC-105591;2-Chloro-5-methyl-1,3-dinitrobenzene #;CS-0359160;FT-0635592

Chemical Property of 4-Chloro-3,5-dinitrotoluene

Chemical Property:

• Vapor Pressure: 0.000144mmHg at 25°C
• Melting Point: 114 °C
• Refractive Index: 1.61
• Boiling Point: 343 °C at 760 mmHg
• Flash Point: 161.2 °C
• PSA: 91.64000
• Density: 1.532g/cm³
• LogP: 3.51120
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 215.9937843
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-3,5-dinitrotoluene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-3,5-dinitrotoluene

There total 12 articles about 4-Chloro-3,5-dinitrotoluene 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:

→ 3,5-Dinitro-4-chlorotoluene (5264-65-3)

Guidance literature:

With hydrogenchloride; at 160 - 170 ℃; dann Erhitzen auf 190-200grad;

Reference yield:

toluene-4-sulfonic acid-(4-methyl-2,6-dinitro-phenyl ester) (5465-75-8) → 3,5-Dinitro-4-chlorotoluene (5264-65-3)

Guidance literature:

With nitrobenzene; at 110 ℃;

Reference yield:

2,6-dinitro-p-cresol (609-93-8) + p-toluenesulfonyl chloride (98-59-9) → 3,5-Dinitro-4-chlorotoluene (5264-65-3)

Guidance literature:

With N,N-diethylaniline; at 85 ℃;

upstream raw materials:

2,6-dinitro-p-cresol

4-methyl-2,6-dinitroaniline

1-chloro-4-methyl-2-nitro-benzene

p-toluenesulfonyl chloride

Downstream raw materials:

(4-methyl-2,6-dinitro-phenyl)-malonic acid diethyl ester

(4-methyl-2,6-dinitro-phenyl)-phenyl sulfide

2-chloro-5-methyl-3-nitro-aniline

4-methyl-2,6-dinitroaniline