2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Base Information

• Chemical Name: 2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• CAS No.: 2402-67-7
• Molecular Formula: C9H7F6NO
• Molecular Weight: 259.151
• Hs Code.: 2922190090
• DSSTox Substance ID: DTXSID20536735
• Wikidata: Q82411482
• Mol file: 2402-67-7.mol

Synonyms:2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2402-67-7;2-(3-amino-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol;MFCD17015636;SCHEMBL2033682;2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol;DTXSID20536735;AMY20793;CAA40267;AKOS016013438;DS-5780;SY116741;CS-0132958;F20245;A912206;2-(3-amino-phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(3-aminophenyl)-1, 1, 1, 3, 3, 3-hexafluoropropan-2-ol;Benzenemethanol, 3-amino-.alpha.,.alpha.-bis(trifluoromethyl)-

Chemical Property of 2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Chemical Property:

• Vapor Pressure: 0.000914mmHg at 25°C
• Boiling Point: 291.1°C at 760 mmHg
• PKA: 9.36±0.15(Predicted)
• Flash Point: 129.8°C
• PSA: 46.25000
• Density: 1.505g/cm³
• LogP: 3.16220
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 259.04318282
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C(C(F)(F)F)(C(F)(F)F)O

Technology Process of 2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

There total 3 articles about 2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol 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: 100.0%

1-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-3-nitrobenzene (2402-65-5) → 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (2402-67-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 6h;

DOI:10.1016/j.bmcl.2005.12.015

Reference yield:

1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol (718-64-9) → 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (2402-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / aq. HNO₃; H₂SO₄ / 2.3 h / 0 - 20 °C

2: 100 percent / H₂ / Pd/C / ethanol / 6 h / 20 °C

With sulfuric acid; hydrogen; nitric acid; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.bmcl.2005.12.015

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (2402-67-7)

Guidance literature:

Multi-step reaction with 3 steps

1: AlCl₃

2: HNO₃, H₂SO₄

3: H₂, aq. HCl / PtO₂

With hydrogenchloride; aluminium trichloride; sulfuric acid; hydrogen; nitric acid; platinum(IV) oxide;

DOI:10.1021/ja01089a020

upstream raw materials:

1-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-3-nitrobenzene

1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol

benzene

Downstream raw materials:

m-N.N-Dimethylamino-α.α-bis-(trifluormethyl)-benzylalkohol

N-[3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-benzenesulfonamide

3-Fluor-<α,α-bis-(trifluormethyl)>-benzylalkohol

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