4-Bromo-2-fluoro-5-methylaniline

Base Information

• Chemical Name: 4-Bromo-2-fluoro-5-methylaniline
• CAS No.: 418762-26-2
• Molecular Formula: C7H7 Br F N
• Molecular Weight: 204.042
• Hs Code.: 2921430090
• DSSTox Substance ID: DTXSID20426940
• Wikidata: Q72456140
• Mol file: 418762-26-2.mol

Synonyms:4-Bromo-2-fluoro-5-methylaniline;418762-26-2;4-Bromo-2-fluoro-5-methyl-phenylamine;MFCD04973744;Benzenamine, 4-bromo-2-fluoro-5-methyl-;SCHEMBL58636;DTXSID20426940;NBRIVALIHOZFTH-UHFFFAOYSA-N;BCP18378;4-bromo-2-fluoro-5-methylbenzenamine;AKOS005064029;AC-3657;AM61966;SB37119;AS-19112;SY022865;BB 0261393;CS-0042933;FT-0659293;A19733;EN300-114581

Chemical Property of 4-Bromo-2-fluoro-5-methylaniline

Chemical Property:

• Vapor Pressure: 0.0693mmHg at 25°C
• Boiling Point: 229.5°C at 760 mmHg
• PKA: 2.62±0.10(Predicted)
• Flash Point: 92.6°C
• PSA: 26.02000
• Density: 1.589g/cm³
• LogP: 3.06000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.97459
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

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

4-Bromo-2-fluoro-5-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Br)F)N

Technology Process of 4-Bromo-2-fluoro-5-methylaniline

There total 2 articles about 4-Bromo-2-fluoro-5-methylaniline 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: 90.77%

→ 4-bromo-2-fluoro-5-methylaniline (418762-26-2)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 69.5%

3-amino-4-fluorotoluene (452-84-6) → 4-bromo-2-fluoro-5-methylaniline (418762-26-2)

Guidance literature:

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

Reference yield: 99.0%

4-bromo-2-fluoro-5-methylaniline (418762-26-2) + methanesulfonyl chloride (124-63-0) → N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide (1132944-97-8)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

3-amino-4-fluorotoluene

Downstream raw materials:

1-(4-bromo-2-fluoro-5-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide

2-fluoro-5-methyl-4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)aniline

2-fluoro-5-methyl-4-(2-methylpyridin-4-yl)aniline

Refernces

• 1、 -. "AMIDO COMPOUNDS AS AhR MODULATORS". Paragraph 0600; 0614. . Retrieved 2019/02/06.
• 2、 -. "SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS". Page/Page column 193-194. . Retrieved 2010/11/27.