3-Bromo-2,4-difluoroaniline

Base Information

• Chemical Name: 3-Bromo-2,4-difluoroaniline
• CAS No.: 103977-79-3
• Molecular Formula: C6H4BrF2N
• Molecular Weight: 208.005
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID60547865
• Wikidata: Q82426371
• Mol file: 103977-79-3.mol

Synonyms:3-Bromo-2,4-difluoroaniline;103977-79-3;Benzenamine, 3-bromo-2,4-difluoro-;MFCD12407090;3-Bromo-2,4-difluorophenylamine;3-Amino-2,6-difluorobromobenzene;3-bromo-2,4-difluoro-aniline;SCHEMBL2647990;DTXSID60547865;NUDDKKLQNVWKRU-UHFFFAOYSA-N;CL9419;AKOS015908298;SB77893;DS-17078;SY102203;AM20020126;CS-0127903;EN300-305128;A896323;AS-813/43501981;Z1269208951

Chemical Property of 3-Bromo-2,4-difluoroaniline

Chemical Property:

• Boiling Point: 224.8±35.0 °C(Predicted)
• PKA: 2.19±0.10(Predicted)
• PSA: 26.02000
• Density: 1.788±0.06 g/cm3(Predicted)
• LogP: 2.89070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 206.94952
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99%, ^*data from raw suppliers

3-Bromo-2,4-difluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1N)F)Br)F

Technology Process of 3-Bromo-2,4-difluoroaniline

There total 3 articles about 3-Bromo-2,4-difluoroaniline 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: 83.0%

2-bromo-1,3-difluoro-4-nitrobenzene (103977-78-2) → 2-bromo-1,3-difluoro-4-aminobenzene (103977-79-3)

Guidance literature:

2-bromo-1,3-difluoro-4-nitrobenzene; With hydrogenchloride; tin(ll) chloride; In water; at 60 ℃; for 1h;

With sodium hydroxide; In water; at 20 ℃; pH=13;

Reference yield:

tin(II)chloride dihydrate + 2-bromo-1,3-difluoro-4-nitrobenzene (103977-78-2) → 2-bromo-1,3-difluoro-4-aminobenzene (103977-79-3)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In diethyl ether;

Reference yield:

1-bromo-2,6-difluorobenzene (64248-56-2) → 2-bromo-1,3-difluoro-4-aminobenzene (103977-79-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; potassium nitrate / 18 h / 0 - 25 °C

2: iron; acetic acid / water; ethanol / 16 h / 20 °C

With sulfuric acid; iron; acetic acid; potassium nitrate; In ethanol; water;

upstream raw materials:

2-bromo-1,3-difluoro-4-nitrobenzene

1-bromo-2,6-difluorobenzene

Refernces

• 1、 -. "Alkylene phenylsulfonamide type selective ZAK inhibitor and application thereof". Paragraph 0105; 0106; 0122-0124. . Retrieved 2018/06/16.
• 2、 -. "INHIBITORS OF KRAS G12C". Page/Page column 279. . Retrieved 2015/04/28.