3-Fluoro-4-(trifluoromethoxy)phenol

Base Information

• Chemical Name: 3-Fluoro-4-(trifluoromethoxy)phenol
• CAS No.: 177596-38-2
• Molecular Formula: C₇H₄F₄O₂
• Molecular Weight: 196.101
• Hs Code.: 2909500090
• European Community (EC) Number: 678-836-6
• DSSTox Substance ID: DTXSID90382605
• Wikidata: Q82173962
• Mol file: 177596-38-2.mol

Synonyms:3-Fluoro-4-(trifluoromethoxy)phenol;177596-38-2;Phenol, 3-fluoro-4-(trifluoromethoxy)-;3-FLUORO-4-TRIFLUOROMETHOXYPHENOL;3-fluoro-4-trifluoromethoxy phenol;SCHEMBL1253983;3-fluoro-4-trifluromethoxyphenol;DTXSID90382605;MFCD06660342;AKOS015956781;AM62297;CS-W010607;3-fluoranyl-4-(trifluoromethyloxy)phenol;DS-14291;F1009;3-Fluoro-4-(trifluoromethoxy)phenol, AldrichCPR;EN300-7397706;A812278;5-(alpha-Carboxyethyl)-2-Phenylthio-PhenylaceticAcid

Chemical Property of 3-Fluoro-4-(trifluoromethoxy)phenol

Chemical Property:

• Vapor Pressure: 0.277mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 196.9°Cat760mmHg
• PKA: 8.36±0.18(Predicted)
• Flash Point: 99.2°C
• PSA: 29.46000
• Density: 1.48g/cm³
• LogP: 2.42990
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 196.01474201
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoro-4-(trifluoromethoxy)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)F)OC(F)(F)F
• Uses: 3-Fluoro-4-(trifluoromethoxy)phenol is used as an intermediate in organic synthesis, pharmaceuticals, agrochemicals and dyes industries.