4-Chloro-5-fluorobenzene-1,2-diamine

Base Information

• Chemical Name: 4-Chloro-5-fluorobenzene-1,2-diamine
• CAS No.: 139512-70-2
• Molecular Formula: C6H6ClFN2
• Molecular Weight: 160.578
• Hs Code.: 2921599090
• European Community (EC) Number: 679-081-5
• DSSTox Substance ID: DTXSID70927876
• Nikkaji Number: J1.524.448H
• Wikidata: Q82902584
• Mol file: 139512-70-2.mol

Synonyms:4-chloro-5-fluoro-1,2-phenylenediamine

Chemical Property of 4-Chloro-5-fluorobenzene-1,2-diamine

Chemical Property:

• Appearance/Colour: grey to light brown powder
• Vapor Pressure: 0.000417mmHg at 25°C
• Melting Point: 110-112 °C
• Refractive Index: 1.638
• Boiling Point: 316.2 °C at 760mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: 145 °C
• PSA: 52.04000
• Density: 1.457 g/cm³
• LogP: 2.80590
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 160.0203541
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-5-fluorobenzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-36-22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)Cl)N)N

Technology Process of 4-Chloro-5-fluorobenzene-1,2-diamine

There total 7 articles about 4-Chloro-5-fluorobenzene-1,2-diamine 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: 89.0%

2-nitro-4-fluoro-5-chloroaniline (104222-34-6) → 4-chloro-5-fluorobenzene-1,2-diamine (139512-70-2)

Guidance literature:

With zinc; hydrazinium monoformate; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2016.04.019

Reference yield: 85.0%

1-azido-5-chloro-4-fluoro-2-nitro-benzene → 4-chloro-5-fluorobenzene-1,2-diamine (139512-70-2)

Guidance literature:

With hydrogenchloride; indium; In tetrahydrofuran; at 20 ℃; for 8h;

Reference yield: 53.0%

4-chloro-5-fluoro-2-nitro-aniline (428871-64-1) → 4-chloro-5-fluorobenzene-1,2-diamine (139512-70-2)

Guidance literature:

With iron; acetic acid; at 70 ℃; for 4h;

upstream raw materials:

N-(3-chloro-4-fluorophenyl)acetamide

N-(3-chloro-4-fluoro-2-nitrophenyl)acetamide

2-nitro-4-fluoro-5-chloroaniline

3-chloro-4-fluorophenylamine

Downstream raw materials:

C₂₆H₂₃BrFN₃

C₂₆H₂₂BrClFN₃