2-Bromo-4-methyl-6-nitrophenol

Base Information

• Chemical Name: 2-Bromo-4-methyl-6-nitrophenol
• CAS No.: 20039-91-2
• Molecular Formula: C7H6BrNO3
• Molecular Weight: 232.034
• Hs Code.: 2908999090
• European Community (EC) Number: 674-059-1
• DSSTox Substance ID: DTXSID30942040
• Nikkaji Number: J1.581.951K
• Wikidata: Q82919006
• Mol file: 20039-91-2.mol

Synonyms:2-BROMO-4-METHYL-6-NITROPHENOL;20039-91-2;Phenol, 2-bromo-4-methyl-6-nitro-;2-Bromo-6-nitro-4-cresol;MFCD00060536;Phenol,2-bromo-4-methyl-6-nitro-;SCHEMBL3360011;6-Nitro-2-brom-4-methylphenol;DTXSID30942040;2-bromo-4-methyl-6-nitro-phenol;AMY24226;AKOS009110327;CS-0135289;FT-0637940;EN300-26660;E83907;A814197;Z227834608

Chemical Property of 2-Bromo-4-methyl-6-nitrophenol

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Melting Point: 68 °C
• Refractive Index: 1.632
• Boiling Point: 254.1 °C at 760 mmHg
• PKA: 5.69±0.38(Predicted)
• Flash Point: 107.5 °C
• PSA: 66.05000
• Density: 1.755 g/cm³
• LogP: 2.89450
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 230.95311
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-4-methyl-6-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-]

Technology Process of 2-Bromo-4-methyl-6-nitrophenol

There total 24 articles about 2-Bromo-4-methyl-6-nitrophenol 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: 99.0%

4-methyl-2-nitrophenol (119-33-5) → 2-bromo-4-methyl-6-nitrophenol (20039-91-2)

Guidance literature:

With benzyltrimethylammonium tribromide; calcium carbonate; In methanol; dichloromethane;

DOI:10.1246/bcsj.62.3373

Reference yield: 86.0%

3,5-dibromo-4-hydroxytoluene (2432-14-6) → 2-bromo-4-methyl-6-nitrophenol (20039-91-2)

Guidance literature:

With sodium nitrite; In acetic acid;

DOI:10.1016/S0040-4039(00)73104-2

Reference yield: 74.0%

2-bromo-p-cresol (6627-55-0) → 2-bromo-4-methyl-6-nitrophenol (20039-91-2)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 0 - 20 ℃;

upstream raw materials:

methanol

2,6-dibromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one

ethyl nitrite

ethanol

Downstream raw materials:

8-bromo-6-methyl-3,4-dihydro-2H-benzo[1,4]oxazine

C₁₅H₁₃BrFNO₃S

C₂₄H₃₀FN₃O₅S

2-bromo-4-methyl-6-nitroanisole

Refernces

• 1、 -. "TYK2 INHIBITORS AND USES THEREOF". Paragraph 00578. . Retrieved 2020/09/27.
• 2、 -. "BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF". Page/Page column 31. . Retrieved 2010/10/19.