Benzenemethanol, a-methyl-3,5-bis(trifluoromethyl)-, (aR)-


Chemical Name: Benzenemethanol, a-methyl-3,5-bis(trifluoromethyl)-, (aR)-
CAS Number: 127852-28-2
Product Number: AG000XGX(AGN-PC-0PIN1C)
Synonyms:
MDL No: MFCD03093010
Molecular Formula: C10H8F6O
Molecular Weight: 258.1603

Identification/Properties


Properties
MP:
53-58 °C
BP:
175.8 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
258.163g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
258.048g/mol
Monoisotopic Mass:
258.048g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
237
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302-H412
Precautionary Statements:
P273
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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