2-(Trifluoromethyl)phenol


Chemical Name: 2-(Trifluoromethyl)phenol
CAS Number: 444-30-4
Product Number: AG003NR7(AGN-PC-0WA5GM)
Synonyms:
MDL No:
Molecular Formula: C7H5F3O
Molecular Weight: 162.1092

Identification/Properties


Properties
MP:
45-46 °C(lit.)
BP:
147.5°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
162.111g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
162.029g/mol
Monoisotopic Mass:
162.029g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
132
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:
Danger
UN#:
1325
Hazard Statements:
H228-H302+H312+H332-H315-H318-H335
Precautionary Statements:
P210-P261-P280-P305+P351+P338
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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