5-Fluoro-2-(trifluoromethyl)phenol

Base Information

• Chemical Name: 5-Fluoro-2-(trifluoromethyl)phenol
• CAS No.: 243459-91-8
• Molecular Formula: C7H4 F4 O
• Molecular Weight: 180.102
• Hs Code.: 2908199090
• European Community (EC) Number: 642-658-7
• DSSTox Substance ID: DTXSID00379228
• Wikidata: Q82168943
• Mol file: 243459-91-8.mol

Synonyms:5-Fluoro-2-(trifluoromethyl)phenol;243459-91-8;5-Fluoro-2-trifluoromethyl-phenol;MFCD00236302;SCHEMBL4343525;5-fluoro-2-trifluoromethylphenol;DTXSID00379228;QWLZSSYHAJSEHU-UHFFFAOYSA-N;BBL100527;STL554321;AKOS005254221;AC-3812;AM61863;PS-8542;Phenol, 5-fluoro-2-(trifluoromethyl)-;FT-0602704;A19872;5-Fluoro-2-(trifluoromethyl)phenol, AldrichCPR;EN300-1928728

Chemical Property of 5-Fluoro-2-(trifluoromethyl)phenol

Chemical Property:

• Vapor Pressure: 1.57mmHg at 25°C
• Melting Point: 48-52℃
• Boiling Point: 163.5oC at 760 mmHg
• PKA: 6.98±0.35(Predicted)
• Flash Point: 52.7oC
• PSA: 20.23000
• Density: 1.434g/cm3
• LogP: 2.55010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Sparingly Soluble (0.40 g/L) (25°C).
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 180.01982740
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

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

5-Fluoro-2-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)O)C(F)(F)F
• Uses: As raw material in organic synthesis. Utilized in the dye industry. As pharmaceutical intermediate.