2-Chloro-4-nitrobenzyl alcohol

Base Information

• Chemical Name: 2-Chloro-4-nitrobenzyl alcohol
• CAS No.: 52301-88-9
• Molecular Formula: C7H6 Cl N O3
• Molecular Weight: 187.583
• Hs Code.: 2906299090
• European Community (EC) Number: 257-828-2
• DSSTox Substance ID: DTXSID10200332
• Nikkaji Number: J295.631D
• Wikidata: Q83073414
• Mol file: 52301-88-9.mol

Synonyms:(2-chloro-4-nitrophenyl)methanol;52301-88-9;2-Chloro-4-nitrobenzyl alcohol;2-chloro-4-nitrobenzylalcohol;Benzenemethanol, 2-chloro-4-nitro-;EINECS 257-828-2;MFCD09998267;SCHEMBL844111;2-Chloro-4-nitrobenzenemethanol;DTXSID10200332;AMY42525;AR2792;AKOS011244906;CS-W003718;AS-45443;SY008269;(R)-2-(oxiran-2-ylmethoxy)phenyl formate;FT-0705779;EN300-121844

Chemical Property of 2-Chloro-4-nitrobenzyl alcohol

Chemical Property:

• Vapor Pressure: 4.23E-05mmHg at 25°C
• Melting Point: 83 °C
• Boiling Point: 337°C at 760 mmHg
• PKA: 13.20±0.10(Predicted)
• Flash Point: 157.6°C
• PSA: 66.05000
• Density: 1.476g/cm³
• LogP: 2.26370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.0036207
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

(2-Chloro-4-nitrophenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-4-nitrobenzyl alcohol

There total 6 articles about 2-Chloro-4-nitrobenzyl alcohol 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-nitrobenzoic acid (99-60-5) → (2-chloro-4-nitrophenyl)methanol (52301-88-9)

Guidance literature:

2-chloro-4-nitrobenzoic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 35 ℃; for 1.5h;

With sodium tetrahydroborate; In tetrahydrofuran; water; at 20 ℃; for 1.5h;

With hydrogenchloride; In tetrahydrofuran; water; for 1h;

Reference yield: 95.0%

methyl 2-chloro-4-nitrobenzoate (13324-11-3) → (2-chloro-4-nitrophenyl)methanol (52301-88-9)

Guidance literature:

methyl 2-chloro-4-nitrobenzoate; diisobutylaluminium hydride; In hexane; dichloromethane; at -78 ℃; for 4h; Inert atmosphere;

With water; In hexane; dichloromethane; at 20 ℃; for 0.333333h; Inert atmosphere;

Reference yield: 92.0%

→ (2-chloro-4-nitrophenyl)methanol (52301-88-9)

Guidance literature:

upstream raw materials:

2-chloro-4-nitrobenzoyl chloride

2-chloro-4-nitrobenzoic acid

methyl 2-chloro-4-nitrobenzoate

2-chloro-4-nitrotoluene

Downstream raw materials:

1-(bromomethyl)-2-chloro-4-nitrobenzene

methyl 3-(2-chloro-4-(N-methyl-N-(n-pentyl)amino)benzyl)-2-methyl-3H-imidazo[4,5-b]pyridine-5-carboxylate

Refernces

• 1、 -. "COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PROTOZOAN INFECTIONS". Page/Page column 17. . Retrieved 2011/06/23.
• 2、 -. "METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS". Page/Page column 91. . Retrieved 2010/12/18.