alpha,2-Dichloro-4-nitrotoluene

Base Information

• Chemical Name: alpha,2-Dichloro-4-nitrotoluene
• CAS No.: 50274-95-8
• Molecular Formula: C7H5 Cl2 N O2
• Molecular Weight: 206.028
• Hs Code.: 2904909090
• European Community (EC) Number: 256-517-9
• DSSTox Substance ID: DTXSID00198279
• Nikkaji Number: J1.448.027G
• Wikidata: Q83071054
• Mol file: 50274-95-8.mol

Synonyms:50274-95-8;2-chloro-1-(chloromethyl)-4-nitrobenzene;alpha,2-Dichloro-4-nitrotoluene;2-chloro-4-nitrobenzyl chloride;EINECS 256-517-9;2-chloro-4-nitrobenzylchloride;SCHEMBL2205749;SCHEMBL13981973;DTXSID00198279;OFZJESMXFWZEAW-UHFFFAOYSA-N;AKOS013681312;2-chloro-1-chloromethyl-4-nitro-benzene;1-(Chloromethyl)-2-chloro-4-nitrobenzene;FT-0752155;EN300-131601

Chemical Property of alpha,2-Dichloro-4-nitrotoluene

Chemical Property:

• Melting Point: 48-50 °C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 311.5±27.0 °C(Predicted)
• Flash Point: 142.2oC
• PSA: 45.82000
• Density: 1.4062 (rough estimate)
• LogP: 3.51020
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

2-chloro-1-(chloromethyl)-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of alpha,2-Dichloro-4-nitrotoluene

There total 2 articles about alpha,2-Dichloro-4-nitrotoluene 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: 100.0%

(2-chloro-4-nitrophenyl)methanol (52301-88-9) → 2-chloro-4-nitrobenzyl chloride (50274-95-8)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; for 2h; Heating / reflux;

Reference yield:

→ 2-chloro-4-nitrobenzyl chloride (50274-95-8)

Guidance literature:

Alkohol III, SOCl2;

Reference yield: 97.0%

piperidine (110-89-4) + 2-chloro-4-nitrobenzyl chloride (50274-95-8) → 1-(2-chloro-4-nitro-benzyl)-piperidine (858678-29-2)

Guidance literature:

at 20 ℃; for 0.25h;

upstream raw materials:

(2-chloro-4-nitrophenyl)methanol

Downstream raw materials:

Phosphoric acid mono-{(2R,3S,4R,5R)-5-[6-amino-8-(2-chloro-4-nitro-benzylsulfanyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl} ester

(2-chloro-4-nitro-benzyl)-diethyl-amine

1-(2-chloro-4-nitro-benzyl)-piperidine

4-nitro-2-chlorobenzonitrile

Refernces

• 1、 -. "3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATIVES AND THEIR USE AS CELL PROLIFERATION INHIBITORS". Page/Page column 18-19. . Retrieved 2008/06/13.