Phenol, 3-(trifluoromethoxy)-


Chemical Name: Phenol, 3-(trifluoromethoxy)-
CAS Number: 827-99-6
Product Number: AG003IAJ(AGN-PC-0KK5YN)
Synonyms:
MDL No:
Molecular Formula: C7H5F3O2
Molecular Weight: 178.1086

Identification/Properties


Properties
BP:
69-70°C at 12 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.446(lit.)
Computed Properties
Molecular Weight:
178.11g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
178.024g/mol
Monoisotopic Mass:
178.024g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
146
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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