4-BROMO-2-METHYL-1-NITROBENZENE

Base Information

• Chemical Name: 4-BROMO-2-METHYL-1-NITROBENZENE
• CAS No.: 52414-98-9
• Molecular Formula: C7H6BrNO2
• Molecular Weight: 216.034
• Hs Code.: 2904909090
• Mol file: 52414-98-9.mol

Synonyms:Toluene,5-bromo-2-nitro- (6CI,7CI);3-Bromo-6-nitrotoluene;4-Bromo-2-methyl-1-nitrobenzene;4-Bromo-6-methylnitrobenzene;5-Bromo-1-methyl-2-nitrobenzene;5-Bromo-2-nitrotoluene;

Chemical Property of 4-BROMO-2-METHYL-1-NITROBENZENE

Chemical Property:

• Vapor Pressure: 0.0074mmHg at 25°C
• Melting Point: 53-55ºC
• Refractive Index: 1.592
• Boiling Point: 265.4 ºC at 760 mmHg
• Flash Point: 114.3 ºC
• PSA: 45.82000
• Density: 1.615 g/cm³
• LogP: 3.18890
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-nitrotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:; R36/37/38:
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:; R36/37/38:
• Safety Statements: S22:; S26:; S36/37/39:

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BROMO-2-METHYL-1-NITROBENZENE

There total 9 articles about 4-BROMO-2-METHYL-1-NITROBENZENE 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: 94.0%

4-nitro-3-methylaniline (611-05-2) → 5-bromo-2-nitrotoluene (52414-98-9)

Guidance literature:

4-nitro-3-methylaniline; With boron trifluoride diethyl etherate; lithium bromide; In acetonitrile; at 0 ℃; for 0.166667h;

With tert.-butylnitrite; In acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.mencom.2018.05.010

Reference yield: 74.0%

4-Bromo-2-methylaniline (583-75-5) → 5-bromo-2-nitrotoluene (52414-98-9)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; at 0 ℃; for 1.58333h; Heating / reflux;

Reference yield: 68.0%

2-nitrosotoluene (611-23-4) → 5-bromo-2-nitrotoluene (52414-98-9)

Guidance literature:

2-nitrosotoluene; With 2,6-di-tert-butyl-4-methyl-phenol; copper(ll) bromide; In acetonitrile; at 20 ℃; for 2h; under 760.051 Torr;

With Oxone; In water; acetonitrile; at 20 ℃; for 24h; under 760.051 Torr; regioselective reaction;

DOI:10.1021/acs.orglett.5b03198

upstream raw materials:

meta-bromotoluene

4-nitro-3-methylaniline

4-Bromo-2-methylaniline

3-methyl-phenol

Downstream raw materials:

(5-bromo-2-nitro-phenyl)-pyruvic acid

5-bromo-2-nitrobenzoic acid

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

[(E)-2-(5-bromo-2-nitro-phenyl)-vinyl]-dimethyl-amine