3,4-Dichloro-2-fluoroaniline

Base Information

• Chemical Name: 3,4-Dichloro-2-fluoroaniline
• CAS No.: 886762-39-6
• Molecular Formula: C6H4 Cl2 F N
• Molecular Weight: 180.009
• Hs Code.: 2921420090
• European Community (EC) Number: 890-043-9
• DSSTox Substance ID: DTXSID30382225
• Wikidata: Q72466183
• Mol file: 886762-39-6.mol

Synonyms:3,4-dichloro-2-fluoroaniline;886762-39-6;MFCD04039241;2-fluoro-3,4-dichloroaniline;3,4-dichloro-2-fluoro-aniline;Benzenamine, 3,4-dichloro-2-fluoro-;SCHEMBL159338;3.4-dichloro-2-fluoroaniline;2-Fluoro-3,4-dichloro-aniline;DTXSID30382225;ZPTBUEKFZSYXBD-UHFFFAOYSA-N;AC-435;AKOS015855574;AM62131;CS-W006195;DS-6125;SY022952;FT-0654918;A19755;EN300-7163312;A1-00385;F0001-2192;3,4-Dichloro-2-fluoroaniline;Benzenamine,3,4-dichloro-2-fluoro-

Chemical Property of 3,4-Dichloro-2-fluoroaniline

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Boiling Point: 256℃
• PKA: 1.51±0.10(Predicted)
• Flash Point: 109℃
• PSA: 26.02000
• Density: 1.502
• LogP: 3.29590
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.9704827
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99%, ^*data from raw suppliers

3,4-Dichloro-2-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dichloro-2-fluoroaniline

There total 2 articles about 3,4-Dichloro-2-fluoroaniline 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:

4-nitro-1,2,3-trichlorobenzene (17700-09-3) → 3,4-dichloro-2-fluorobenzeneamine (886762-39-6)

Guidance literature:

Multi-step reaction with 3 steps

1: ammonium hydroxide / chlorobenzene / 125 °C / 7500.75 Torr / Autoclave; Inert atmosphere; Sealed tube

2: NaNO₂; acetic acid; hydrogen tetrafluoroborate / water monomer; o-dimethylbenzene / 8 h / 0 - 135 °C

3: iron⁽⁰⁾; acetic acid / water monomer; acetone / Reflux

With ammonium hydroxide; hydrogen tetrafluoroborate; iron⁽⁰⁾; acetic acid; NaNO₂; In o-dimethylbenzene; water monomer; chlorobenzene; acetone;

Reference yield:

1,2,3-trichlorobenzene (87-61-6) → 3,4-dichloro-2-fluorobenzeneamine (886762-39-6)

Guidance literature:

Multi-step reaction with 4 steps

1: nitric acid; sulfuric acid / 1,2-dichloro-ethane / 50 °C

2: ammonium hydroxide / chlorobenzene / 125 °C / 7500.75 Torr / Autoclave; Inert atmosphere; Sealed tube

3: NaNO₂; acetic acid; hydrogen tetrafluoroborate / water monomer; o-dimethylbenzene / 8 h / 0 - 135 °C

4: iron⁽⁰⁾; acetic acid / water monomer; acetone / Reflux

With ammonium hydroxide; hydrogen tetrafluoroborate; sulfuric acid; nitric acid; iron⁽⁰⁾; acetic acid; NaNO₂; In o-dimethylbenzene; water monomer; 1,2-dichloro-ethane; chlorobenzene; acetone;

Reference yield: 93.0%

3,4-dichloro-2-fluorobenzeneamine (886762-39-6) + 4,6-dichloropyrido<3,2-d>pyrimidine (175358-02-8) → 6-chloro-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine

Guidance literature:

With trifluoroacetic acid; In isopropyl alcohol; at 80 ℃; for 0.5h; Temperature;

upstream raw materials:

1,2,3-trichlorobenzene

4-nitro-1,2,3-trichlorobenzene

Downstream raw materials:

4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate

1-(4-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)prop-2-en-1-one

1-[4-[4-(3,4-dichloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy]-piperidin-1-yl]prop-2-en-1-one hydrochloride

6,7-dichloro-1,3-benzothiazol-2-amine

Refernces