4-AMINO-3-(TRIFLUOROMETHYL)PHENOL

Base Information

• Chemical Name: 4-AMINO-3-(TRIFLUOROMETHYL)PHENOL
• CAS No.: 445-04-5
• Molecular Formula: C7H6F3NO
• Molecular Weight: 177.126
• Hs Code.: 2922299090
• European Community (EC) Number: 641-250-6
• DSSTox Substance ID: DTXSID90563073
• Nikkaji Number: J1.242.238E
• Wikidata: Q72511589
• Mol file: 445-04-5.mol

Synonyms:4-Amino-3-(trifluoromethyl)phenol;

Chemical Property of 4-AMINO-3-(TRIFLUOROMETHYL)PHENOL

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 158℃
• Refractive Index: 1.516
• Boiling Point: 275.92 °C at 760 mmHg
• PKA: 9.22±0.18(Predicted)
• Flash Point: 120.672 °C
• PSA: 46.25000
• Density: 1.432 g/cm³
• LogP: 2.57440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 177.04014830
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98% ^*data from raw suppliers

4-Amino-3-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)C(F)(F)F)N

Technology Process of 4-AMINO-3-(TRIFLUOROMETHYL)PHENOL

There total 7 articles about 4-AMINO-3-(TRIFLUOROMETHYL)PHENOL 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%

3-trifluoromethyl-4-nitrophenol (88-30-2) → 4-amino-3-(trifluoromethyl)-phenol (445-04-5)

Guidance literature:

With 10% palladium on activated charcoal; under 760.051 Torr;

DOI:10.1002/jhet.571

Reference yield:

3-Trifluoromethylphenol (98-17-9) → 4-amino-3-(trifluoromethyl)-phenol (445-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaNO, HCl, Na₂CO₃, 2.) NaOH / 1.) H₂O, 30 min, 2.) H₂O, 0-5 deg C

2: 47.2 g / Na₂S₂O₄ / H₂O

With hydrogenchloride; sodium hydroxide; sodium dithionite; sodium carbonate; In water;

DOI:10.1021/jo970752k

Reference yield:

Sodium; 4-(4-hydroxy-2-trifluoromethyl-phenylazo)-benzenesulfonate → 4-amino-3-(trifluoromethyl)-phenol (445-04-5)

Guidance literature:

With sodium dithionite; In water;

DOI:10.1021/jo970752k

upstream raw materials:

3-trifluoromethyl-4-nitrophenol

4-phenylazo-3-trifluoromethyl-phenol

3-Trifluoromethylphenol

4-nitro-3-(trifluoromethyl)benzeneamine

Downstream raw materials:

trans-3-Ethylamino-2-(α,α,α-trifluor-2,5-dihydroxy-o-tolyl)-crotonsaeure-ethylester

4-(4-amino-3-(trifluoromethyl)phenoxy)-3-nitropyridin-2-amine

(4-amino-3-trifluoromethylphenyl)-(all-trans)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate

(4-amino-3-trifluoromethylphenyl)-(all-trans)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimeth yl-2,4,6,8-nonatetraenoate

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