Phenol, 3,4,5-trifluoro-


Chemical Name: Phenol, 3,4,5-trifluoro-
CAS Number: 99627-05-1
Product Number: AG0036UG(AGN-PC-0KKYKM)
Synonyms:
MDL No: MFCD00042427
Molecular Formula: C6H3F3O
Molecular Weight: 148.0826

Identification/Properties


Properties
MP:
52-55 °C
BP:
199.7 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Solubility:
104g/l OECD Test Guideline 105
Computed Properties
Molecular Weight:
148.084g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
148.014g/mol
Monoisotopic Mass:
148.014g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
108
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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