2-Isopropyl-5-nitrobenzyl chloride

Base Information

• Chemical Name: 2-Isopropyl-5-nitrobenzyl chloride
• CAS No.: 64123-64-4
• Molecular Formula: C10H12 Cl N O2
• Molecular Weight: 213.664
• Hs Code.: 2904909090
• European Community (EC) Number: 264-681-8
• UNII: ZSQ38L3JGF
• DSSTox Substance ID: DTXSID8070049
• Nikkaji Number: J310.054E
• Wikidata: Q81997217
• Mol file: 64123-64-4.mol

Synonyms:2-Isopropyl-5-nitrobenzyl chloride;64123-64-4;ZSQ38L3JGF;2-(Chloromethyl)-1-(1-methylethyl)-4-nitrobenzene;EINECS 264-681-8;UNII-ZSQ38L3JGF;Benzene, 2-(chloromethyl)-1-(1-methylethyl)-4-nitro-;DTXSID8070049;SCHEMBL11332286

Chemical Property of 2-Isopropyl-5-nitrobenzyl chloride

Chemical Property:

• Vapor Pressure: 0.000749mmHg at 25°C
• Boiling Point: 316.7°C at 760 mmHg
• Flash Point: 145.3°C
• PSA: 45.82000
• Density: 1.193g/cm³
• LogP: 3.98020
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Isopropyl-5-nitrobenzyl chloride

There total 1 articles about 2-Isopropyl-5-nitrobenzyl chloride 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:

bis(2-chloromethyl)ether (542-88-1) + 4-nitrocumene (1817-47-6) → 2-isopropyl-5-nitro-benzyl chloride (64123-64-4)

Guidance literature:

With chlorosulphuric acid;

Reference yield:

2-isopropyl-5-nitro-benzyl chloride (64123-64-4) → 3-methyl-4-isopropylaniline hydrochloride (4534-11-6)

Guidance literature:

With hydrogen; palladium; In ethanol;

Reference yield:

2-isopropyl-5-nitro-benzyl chloride (64123-64-4) → N-Isopropyl-4,6-dinitro-o-Cymen-5-amine (64123-34-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / palladium / ethanol

2: ethyl acetate

With hydrogen; palladium; In ethanol; ethyl acetate;

upstream raw materials:

bis(2-chloromethyl)ether

4-nitrocumene

Downstream raw materials:

3,3-Dimethyl-6-nitro-1(3H)-isobenzofuranon

2-isopropyl-5-nitro-benzoic acid

2-isopropyl-5-nitrotoluene

4-Brom-5-nitro-1-methyl-2-isopropyl-benzol