(2,6-Dichloro-3-nitrophenyl)methanol

Base Information

• Chemical Name: (2,6-Dichloro-3-nitrophenyl)methanol
• CAS No.: 160647-01-8
• Molecular Formula: C7H5Cl2NO3
• Molecular Weight: 222.028
• Hs Code.: 29221990
• DSSTox Substance ID: DTXSID10383492
• Wikidata: Q82175232
• Mol file: 160647-01-8.mol

Synonyms:(2,6-dichloro-3-nitrophenyl)methanol;160647-01-8;2,6-Dichloro-3-nitrobenzyl alcohol;(2,6-DICHLORO-3-NITRO)BENZYL ALCOHOL;(2,6-Dichloro-3-nitro-phenyl)-methanol;Benzenemethanol, 2,6-dichloro-3-nitro-;Benzenemethanol,2,6-dichloro-3-nitro-;SCHEMBL6646572;DTXSID10383492;SBOJVVSPAOOEEB-UHFFFAOYSA-N;AMY26989;MFCD01566901;AKOS015911530;AB09225;PS-4517;AC-28585;CS-0157888;FT-0727332;[2,6-bis(chloranyl)-3-nitro-phenyl]methanol;EN300-7396541;A810162

Chemical Property of (2,6-Dichloro-3-nitrophenyl)methanol

Chemical Property:

• Vapor Pressure: 3.43E-06mmHg at 25°C
• Melting Point: 107-108 °C
• Refractive Index: 1.623
• Boiling Point: 371.9 °C at 760 mmHg
• PKA: 12.99±0.10(Predicted)
• Flash Point: 178.7 °C
• PSA: 66.05000
• Density: 1.597 g/cm³
• LogP: 2.91710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 220.9646484
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6-Dichloro-3-nitrobenzyl alcohol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2,6-Dichloro-3-nitrophenyl)methanol

There total 4 articles about (2,6-Dichloro-3-nitrophenyl)methanol 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: 92.9%

2,6-dichloro-3-nitrobenzaldehyde (5866-97-7) → 2,6-Dichloro-3-nitrobenzyl alcohol (160647-01-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 10 ℃; for 1h;

DOI:10.1021/jm970591c

Reference yield: 80.0%

2,6-dichloro-3-nitrobenzoic acid (55775-97-8) → 2,6-Dichloro-3-nitrobenzyl alcohol (160647-01-8)

Guidance literature:

With dimethyl sulfide borane; In tetrahydrofuran; for 0.5h; Inert atmosphere; Reflux;

DOI:10.1016/j.ejmech.2020.112948

Reference yield:

2,6-dichlorobenzoic acid (50-30-6) → 2,6-Dichloro-3-nitrobenzyl alcohol (160647-01-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 1.5 h / 55 °C

2: dimethyl sulfide borane / tetrahydrofuran / 0.5 h / Inert atmosphere; Reflux

With sulfuric acid; nitric acid; dimethyl sulfide borane; In tetrahydrofuran;

DOI:10.1016/j.ejmech.2020.112948

upstream raw materials:

2,6-dichloro-3-nitrobenzaldehyde

2,6-dichloro-3-nitrobenzoic acid

2,6-dichlorobenzoic acid

Downstream raw materials:

tert-butyl(2,6-dichloro-3-nitrobenzyloxy)diphenylsilane

(3-amino-2,6-dichloro-phenyl)methanol

Refernces

• 1、 -. "Heterocyclic compounds". Page/Page column 13. . Retrieved 2010/02/14.
• 2、 -. "IMIDAZO [1,2-A] PYRIDINES AND THEIR PHARMACEUTICAL USE". . . Retrieved 2008/06/13.