3-Bromo-5-ethylaniline

Base Information

• Chemical Name: 3-Bromo-5-ethylaniline
• CAS No.: 123158-68-9
• Molecular Formula: C8H10BrN
• Molecular Weight: 200.078
• Hs Code.: 2921420090
• European Community (EC) Number: 874-587-4
• DSSTox Substance ID: DTXSID30596582
• Wikidata: Q82491878
• Mol file: 123158-68-9.mol

Synonyms:3-Bromo-5-ethylaniline;123158-68-9;3-bromo-5-ethyl-benzenamine;Benzenamine, 3-bromo-5-ethyl-;MFCD16659612;3-bromo-5-ethylbenzenamine;SCHEMBL8567773;DTXSID30596582;YPAQYCIEIXDIQG-UHFFFAOYSA-N;AMY28516;AKOS016846078;CS-W021866;SB77613;AS-59644;DA-20512;SY114144;O10968

Chemical Property of 3-Bromo-5-ethylaniline

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Boiling Point: 279.5°C at 760 mmHg
• Flash Point: 122.8°C
• PSA: 26.02000
• Density: 1.421g/cm³
• LogP: 3.17490
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.99966
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-ethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC(=C1)Br)N

Technology Process of 3-Bromo-5-ethylaniline

There total 12 articles about 3-Bromo-5-ethylaniline 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:

N-(4-bromo-2-ethylphenyl)acetamide (51688-73-4) → 3-bromo-5-ethylaniline (123158-68-9)

Guidance literature:

Multi-step reaction with 4 steps

1: acetic acid; sulfuric acid; nitric acid

2: aqueous sulfuric acid

3: ethanolic sulfuric acid; aqueous sodium nitrite solution

4: tin; aqueous hydrochloric acid

With hydrogenchloride; tin; sulfuric acid; nitric acid; acetic acid; sodium nitrite;

Reference yield:

N-(3-bromo-5-ethylphenyl)acetamide (123158-67-8) → 7-Bromo-5-ethyl-4-oxo-1,4-dihydroquinoline-2-carboxlic acid + 3-bromo-5-ethylaniline (123158-68-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane;

Reference yield:

3-bromo-5-ethyl-nitrobenzene (123158-66-7) → 3-bromo-5-ethylaniline (123158-68-9)

Guidance literature:

With hydrogenchloride; tin;

upstream raw materials:

3-bromo-5-ethyl-nitrobenzene

hydrogenchloride

N-(2-bromo-4-ethylphenyl)acetamide

4-ethyl-2-bromo-5-nitro-aniline

Downstream raw materials:

N-(3-bromo-5-ethylphenyl)acetamide