2-(2-Bromo-6-nitrophenyl)ethanol

Base Information

• Chemical Name: 2-(2-Bromo-6-nitrophenyl)ethanol
• CAS No.: 118665-02-4
• Molecular Formula: C8H8BrNO3
• Molecular Weight: 246.06
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID40597904
• Nikkaji Number: J1.389.496E
• Wikidata: Q82493564
• Mol file: 118665-02-4.mol

Synonyms:2-(2-bromo-6-nitrophenyl)ethanol;118665-02-4;2-(2-Bromo-6-nitrophenyl)ethan-1-ol;SCHEMBL7643805;DTXSID40597904;ASQKEECJWGIMFB-UHFFFAOYSA-N;MFCD09834352;AKOS015967415;AM80939;AS-40735;DA-17997;CS-0324843;A893055

Chemical Property of 2-(2-Bromo-6-nitrophenyl)ethanol

Chemical Property:

• Boiling Point: 336.2±27.0 °C(Predicted)
• PKA: 14.47±0.10(Predicted)
• PSA: 66.05000
• Density: 1.665±0.06 g/cm3(Predicted)
• LogP: 2.41530
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.96876
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Bromo-6-nitrophenyl)ethanol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)CCO)[N+](=O)[O-]
• Uses: 2-(2-bromo-6-nitrophenyl)ethanol is a useful research chemical.

Technology Process of 2-(2-Bromo-6-nitrophenyl)ethanol

There total 2 articles about 2-(2-Bromo-6-nitrophenyl)ethanol 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: 72.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-bromo-6-nitrotoluene (55289-35-5) → 2-(2-bromo-6-nitrophenyl)ethan-1-ol (118665-02-4)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl acetamide; at 20 ℃; for 0.75h;

Reference yield: 70.0%

PE + 2-bromo-6-nitrotoluene (55289-35-5) → 2-(2-bromo-6-nitrophenyl)ethan-1-ol (118665-02-4)

Guidance literature:

With paraformaldehyde; In dimethyl sulfoxide; SiO₂; tert-butyl alcohol;

Reference yield: 99.8%

2-(2-bromo-6-nitrophenyl)ethan-1-ol (118665-02-4) + triethylamine (121-44-8) + trichloromethyl chloroformate (503-38-8) → 2-(2-bromo-6-nitrophenyl)ethoxycarbonyl chloride (179691-25-9)

Guidance literature:

In tetrahydrofuran;

upstream raw materials:

formaldehyd

2-bromo-6-nitrotoluene

Downstream raw materials:

2-(2-amino-6-bromophenyl)ethan-1-ol

2-(2-bromo-6-nitrophenyl)ethoxycarbonyl chloride

1-bromo-2-ethenyl-3-nitrobenzene

5'-O-(2-(2-bromo-6-nitrophenyl)ethoxycarbonyl)thymidine